Molecule Details

Cc1ccncc1NC(=O)CC1CC2CC2C1
3-aminopyridine-like Enamine Assayed
View on Fragalysis x10575
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CC1CC2CC2C1
MW: 230.14
Fraction sp3: 0.57
HBA: 2
HBD: 1
Rotatable Bonds: 3
TPSA: 41.99
cLogP: 2.76
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z3471768288
Enamine Extended REAL: s_22____3391102____15159066
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 11.5126585
Average Inhibition @ 50 µM - Fluorescence: 12.287035
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-16
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.627

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.627

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.627

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.617

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.578

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.545

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.517

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.517

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.508

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.500

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.500

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.492

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.492

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Cc1ccncc1NC(=O)C1CC(C2CC2)C1

MAT-POS-590ac91e-18
0.492

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Cc1ccncc1NC(=O)CC(C)C(C)C

MAT-POS-590ac91e-11
0.492

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.491

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.491

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Cc1ccncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1

BEN-DND-6de5dfa0-3
0.485

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Cc1ccncc1NC(=O)CC1(C#N)CCC1

MAT-POS-590ac91e-15
0.485

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.485

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.484

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.477

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.477

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.476

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Cc1ccncc1NC(=O)CN1CCCC1=O

BEN-DND-22e6b372-4
0.471

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.470

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.469

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Cc1ccncc1NC(=O)C[C@@H]1CC[C@H](C(N)=O)[C@@H]1c1ccsc1

PET-SGC-a3e47117-1
0.468

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.463

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CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-93268d01-8
0.463

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Cc1ccncc1NC(=O)[C@@H]1C[C@H]1CF

ERI-UCB-5b47150d-6
0.462

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Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.462

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Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.457

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Cc1ccncc1NC(=O)CN1CCCCC1=O

BEN-DND-22e6b372-3
0.457

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.456

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Cc1ccncc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-20
0.456

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Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1

DAR-DIA-6a508060-12
0.455

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.455

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.455

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CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1

GAB-REV-70cc3ca5-21
0.455

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Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O

MAK-UNK-372b0df5-3
0.449

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Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1

EDJ-MED-c9f55a56-1
0.448

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.448

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CC(=O)NC1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-14
0.444

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Cc1ccncc1NC(=O)CN1CCN(C)CC1=O

BEN-DND-22e6b372-2
0.444

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Cc1ccncc1NC(=O)CN1CCN(C)C(=O)C1

BEN-DND-6de5dfa0-5
0.443

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.441

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CCO[C@@H]1C[C@H]1C(=O)Nc1cnccc1C

MAT-POS-590ac91e-8
0.441

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.441

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CC(=O)N(C)C1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-15
0.438

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Cc1ccncc1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-3
0.438

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.437

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Cc1ccncc1NC(=O)CN1CCNC(=O)C1

BEN-DND-6de5dfa0-4
0.437

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CCC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-1
0.437

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Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1

BEN-DND-93268d01-13
0.435

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.435

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.435

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.435

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.435

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Cc1ccncc1NC(=O)C1CCC12CCC2

MAT-POS-590ac91e-22
0.433

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.432

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Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-64
0.432

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Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-61
0.432

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CC(=O)N1CCN(CC(=O)Nc2cnccc2C)C(=O)C1

BEN-DND-22e6b372-1
0.432

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Cc1ccncc1NC(=O)C[C@H]1CCCc2cc(S(N)(=O)=O)ccc21

MIH-UNI-6b9ca91a-3
0.432

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Cc1ccncc1NC(=O)CN1CCN(C(=O)CCl)CC1

BEN-DND-6de5dfa0-16
0.431

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

JAN-GHE-83b26c96-14
0.431

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

ALP-POS-95b75b4d-3
0.431

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

DAR-DIA-0cde14eb-76
0.431

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CCOC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-7
0.431

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.429

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Cc1ccncc1NC(=O)C(C#N)CC1CC1

MAT-POS-590ac91e-14
0.429

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.429

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.429

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.429

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.427

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Cc1ccncc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21

MAT-POS-590ac91e-19
0.424

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.423

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.422

View
Cc1ccncc1NC(=O)CCSCC(NC=O)S(C)(=O)=O

MAK-UNK-372b0df5-2
0.421

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CO[C@@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-2
0.419

View
CO[C@H](C)C(=O)Nc1cnccc1C

ERI-UCB-5b47150d-1
0.419

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CO[C@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-1
0.419

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Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

DAR-DIA-0cde14eb-78
0.419

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CC(=O)N1CCCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-6
0.419

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Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.418

View
Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.418

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.417

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Cc1ccncc1NC(=O)CN1CCn2c(C)cnc2C1

BEN-DND-6de5dfa0-8
0.416

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Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.416

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Cc1ccncc1NC(=O)CN(C)c1cccc(C#N)c1

GAB-REV-70cc3ca5-19
0.416

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Cc1ccncc1NC(=O)CN(C)c1cccc(-c2ccn[nH]2)c1

GAB-REV-70cc3ca5-1
0.415

View
Cc1ccncc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1

PED-UNI-292b67d6-1
0.413

View
Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-1
0.413

View
Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.413

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Cc1ccncc1NC(=O)[C@@H]1CNC(=O)O1

MAT-POS-590ac91e-12
0.412

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.411

View
Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1

ANN-UNI-98d2bf15-2
0.411

View
Cc1ccncc1NC(=O)Cc1cncc(C#N)c1

TRY-UNI-2eddb1ff-1
0.411

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.409

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Cc1ccncc1NC(=O)CC1CC1

0.775

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Cc1ccncc1NC(=O)CC1CC(c2ccccc2)C1

0.750

View
Cc1ccncc1NC(=O)CC1CC2CCC(C1)N2

0.750

View
Cc1ccncc1NC(=O)CC1CCCC1

0.738

View
Cc1ccncc1NC(=O)CC1CCC1

0.738

View
Cc1ccncc1NC(=O)CC1CCCCC1

0.721

View
Cc1ccncc1NC(=O)CC1CCCCCC1

0.721

View
Cc1ccncc1NC(=O)CC1CC(=O)C1

0.721

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CCOC1CC(CC(=O)Nc2cnccc2C)C1

0.717

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Cc1ccncc1NC(=O)CC1CCC(C)C1

0.711

View
Cc1ccncc1NC(=O)CC1CCC(C)CC1

0.705

View
Cc1ccncc1NC(=O)CC1CC(=O)NC(=O)C1

0.705

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Cc1ccncc1NC(=O)CC1CS(=O)(=O)C1

0.705

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Cc1ccncc1NC(=O)CC1CCNCC1

0.705

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Cc1ccncc1NC(=O)CC1CC1C

0.698

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Cc1ccncc1NC(=O)CC1CCC2CC12

0.696

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Cc1ccncc1NC(=O)CC1CCOCC1

0.689

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Cc1ccncc1NC(=O)CC1CCSCC1

0.689

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Cc1ccncc1NC(=O)CC1CC(F)(F)C1

0.689

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Cc1ccncc1NC(=O)C[C@H]1CC[C@@H](N)CC1

0.689

View
Cc1ccncc1NC(=O)C[C@@H]1CCNC1

0.689

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Cc1ccncc1NC(=O)C[C@H]1CCNC1

0.689

View
Cc1ccncc1NC(=O)CC1OCCO1

0.682

View
Cc1ccncc1NC(=O)CC1CCCC(C)C1

0.681

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Cc1ccncc1NC(=O)N1CC2CC2C1

0.674

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Cc1ccncc1NC(=O)CC1CC=CCC1

0.674

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Cc1ccncc1NC(=O)CC1CCS(=O)(=O)CC1

0.674

View
Cc1ccncc1NC(=O)CC1CCC(C)(C)CC1

0.674

View
Cc1ccncc1NC(=O)CC1CCOC1

0.660

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Cc1ccncc1NC(=O)CC1CCC(F)(F)CC1

0.660

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Cc1ccncc1NC(=O)C[C@H]1CCOC1

0.660

View
Cc1ccncc1NC(=O)CC1CCC(C(C)(C)C)CC1

0.660

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COC1CCC(CC(=O)Nc2cnccc2C)CC1

0.660

View
Cc1ccncc1NC(=O)CC1CCC(C(=O)O)CC1

0.660

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Cc1ccncc1NC(=O)CC1CCCNC1

0.660

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Cc1ccncc1NC(=O)C[C@H]1CCCNC1

0.660

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Cc1ccncc1NC(=O)C[C@@H]1CCCNC1

0.660

View
Cc1ccncc1NC(=O)CC1CC(C)CC(C)(C)C1

0.653

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Cc1ccncc1NC(=O)CC1OCCCO1

0.652

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Cc1ccncc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1

0.651

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Cc1ccncc1NC(=O)CC1CC2CCC1C2

0.646

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Cc1ccncc1NC(=O)CC1CCS(=O)(=O)C1

0.646

View
Cc1ccncc1NC(=O)CC1CCC(c2ccccc2)CC1

0.646

View
Cc1ccncc1NC(=O)CC1COC(=O)C1

0.646

View
CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cnccc2C)C1(C)C

0.646

View
Cc1ccncc1NC(=O)CC1CCC(=O)NC1

0.646

View
Cc1ccncc1NC(=O)CC1CC(=O)N1

0.644

View
COC1CCCC(CC(=O)Nc2cnccc2C)C1

0.640

View
Cc1ccncc1NC(=O)CC1CCCOC1

0.633

View
Cc1ccncc1NC(=O)CC1CCC(F)(F)C1

0.633

View
Cc1ccncc1NC(=O)CC1CCC2(CC1)OCCO2

0.633

View
Cc1ccncc1NC(=O)CC1CCN(S(C)(=O)=O)CC1

0.633

View
Cc1ccncc1NC(=O)CC1CC1(Cl)Cl

0.630

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CCC1CC(CC(=O)Nc2cnccc2C)CCO1

0.627

View
Cc1ccncc1NC(=O)CNC(=O)CC1CCCC1

0.625

View
Cc1ccncc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1

0.625

View
Cc1ccncc1NC(=O)CC1CC2CCC(C1)N2C(=O)OC(C)(C)C

0.623

View
Cc1ccncc1NC(=O)CCC1CC1

0.622

View
Cc1ccncc1NC(=O)CC1CCc2ccccc2C1

0.620

View
Cc1ccncc1NC(=O)CC1CCCNC(=O)C1

0.620

View
CCOC(=O)C1CCC(CC(=O)Nc2cnccc2C)CC1

0.620

View
CCON1CCC(CC(=O)Nc2cnccc2C)CC1

0.620

View
Cc1ccncc1NC(=O)NNC(=O)CC1CC1

0.617

View
Cc1ccncc1NC(=O)CC1CCOC(C(C)C)C1

0.615

View
Cc1cnccc1NC(=O)CC1CC1

0.614

View
Cc1ccncc1NC(=O)CNC(=O)CC1CCCCC1

0.612

View
Cc1ccncc1NC(=O)CN

0.610

View
Cc1ccncc1NC(=O)CCl

0.610

View
Cc1ccncc1NC(=O)N1C[C@H]2CC=CC[C@H]2C1

0.609

View
Cc1ccncc1NC(=O)NCC1CC=CC1

0.609

View
Cc1ccncc1NC(=O)CC1CN(C(=O)OC(C)(C)C)C1

0.608

View
Cc1ccncc1NC(=O)CC1CCOC(C)(C)C1

0.608

View
Cc1ccncc1NC(=O)CC1CCN(CC(F)F)CC1

0.608

View
Cc1ccncc1NC(=O)CC1CCN(CC(F)(F)F)CC1

0.608

View
Cc1ccncc1NC(=O)CS(=O)(=O)CC(=O)Nc1cnccc1C

0.605

View
Cc1ccncc1NC(=O)CC1C=CCC1

0.604

View
Cc1ccncc1NC(=O)CC1CCCC1C

0.604

View
Cc1ccncc1NC(=O)CC1CCCO1

0.604

View
Cc1ccncc1NC(=O)CC1CCCCC1C

0.604

View
Cc1ccncc1NC(=O)CC1CCC(=O)N1

0.604

View
Cc1ccncc1NC(=O)CC1CC(=O)NC1=O

0.604

View
Cc1cnccc1NC(=O)CC1CC(c2ccccc2)C1

0.604

View
Cc1ccncc1NC(=O)C(=O)NNC(=O)CC1CC1

0.604

View
Cc1ccncc1NC(=O)CC1CCCN1

0.604

View
Cc1ccncc1NC(=O)C[C@H]1CCCN1

0.604

View
Cc1cnccc1NC(=O)CC1CC2CCC(C1)N2

0.604

View
Cc1ccncc1NC(=O)CC1(C)CC1

0.600

View
Cc1ccncc1NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1

0.600

View
Cc1ccncc1NC(=O)CC1OCCC1(C)C

0.600

View
Cc1ccncc1NC(=O)NCC1CC1

0.600

View
Cc1ccncc1NC(=O)CC1CCN(Cc2ccccc2)CC1

0.596

View
Cc1ccncc1NC(=O)CC12CC3CC(CC(C3)C1)C2

0.596

View
Cc1ccncc1NC(=O)CCC1CCCC1

0.596

View
Cc1ccncc1NC(=O)CCC1CCC1

0.596

View
Cc1ccncc1NC(=O)CCCC1CC1

0.596

View
Cc1ccncc1NC(=O)C1CCC2CC2C1

0.596

View
Cc1ccncc1NC(=O)NCC1CC(O)C1

0.596

View
Cc1ccncc1NC(=O)NC[C@H]1C[C@@H](O)C1

0.596

View
Cc1ccncc1NC(=O)NCC1CC(C)C1

0.596

View
Cc1ccncc1NC(=O)NCC1CSC1

0.596

View
CC(=O)CCCC(=O)Nc1cnccc1C

0.159

View
O=C(CC1CCCCC1)Nc1cccnc1

0.159

View
O=C(CC1CCCC1)Nc1cccnc1

0.159

View
CC(C)(C)C1CCC(C(=O)Nc2cccnc2)CC1

0.199

View
Cc1ccncc1NC(=O)C1(C#N)CCCC1

0.193

View
Cc1ncccc1NC(=O)CC1CCCCC1

0.189

View
O=C(Nc1cccnc1)C12CCCC1CCC2

0.188

View
O=C(Nc1cccnc1)C1CC12CCCCC2

0.187

View
O=C(Nc1cccnc1)C1CC12CCCC2

0.180

View
O=C(Nc1cccnc1)C1CC2CCC1C2

0.173

View
O=C(Nc1cccnc1)C1C2CCCC21

0.173

View
O=C(CC1CC1)Nc1cnccc1CO

0.169

View
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccnc1

0.157

View
Cc1ccncc1N(C)C(=O)CC1(C)CC1

0.149

View
O=C(CC1CC2CCC1C2)Nc1cccnc1

0.148

View
Cc1ccncc1NC(=O)CCC1CCCC1

0.096

View
C(NC1=C(C)C=CN=C1)(=O)CC1CCC(C)CC1

0.946

View
C(NC1=C(C)C=CN=C1)(=O)CC1CCCCC1

0.923

View
C(NC1=C(C)C=CN=C1)(=O)CCC1CCC(CC)C1

0.911

View
C(NC1=C(C)C=CN=C1)(=O)CC1CCCC1

0.907

View
C(NC1=C(C)C=CN=C1)(=O)CC1CCC(=O)CC1

0.884

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