Molecule Details

COC1(CC(=O)Nc2cnccc2C)CC1
3-aminopyridine-like Enamine Assayed
Molecular Properties
SMILES:
COC1(CC(=O)Nc2cnccc2C)CC1
MW: 220.12
Fraction sp3: 0.5
HBA: 3
HBD: 1
Rotatable Bonds: 4
TPSA: 51.22
cLogP: 1.9
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z3048531849
Enamine Extended REAL: s_22____3391102____13654548
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -5.470909
Average Inhibition @ 50 µM - Fluorescence: 13.8431555
Relative Solubility @ 20 µM: 1.01
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)CC1(CO)CC1

MAT-POS-590ac91e-6
0.632

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

MAT-POS-590ac91e-15
0.590

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CNC(=O)COC1(CC(=O)Nc2cnccc2C)CCN(C)CC1

SIM-DEM-2d7ee9fd-1
0.563

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.556

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Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.554

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.526

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.525

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.524

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.500

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.500

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

MAT-POS-590ac91e-11
0.500

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.500

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.492

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.485

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.484

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.484

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.484

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.484

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.484

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.484

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.484

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.484

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Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCC1

CHR-SOS-e960e883-6
0.481

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

DAR-DIA-0cde14eb-1
0.479

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.477

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.476

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

ERI-UCB-5b47150d-1
0.475

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

MAT-POS-590ac91e-2
0.475

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

MAT-POS-590ac91e-1
0.475

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

BEN-DND-93268d01-8
0.470

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.470

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.470

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.470

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Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCCC1

CHR-SOS-e960e883-5
0.468

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.464

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

GAB-REV-70cc3ca5-20
0.463

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

GAB-REV-70cc3ca5-21
0.462

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.462

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.462

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

DAR-DIA-0cde14eb-61
0.458

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

DAR-DIA-0cde14eb-64
0.458

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Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCCCC1

CHR-SOS-e960e883-4
0.457

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.456

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.456

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.455

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

EDJ-MED-c9f55a56-1
0.455

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

DAR-DIA-0cde14eb-62
0.452

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

DAR-DIA-0cde14eb-63
0.452

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Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-2
0.452

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.449

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.448

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Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.446

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Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-4
0.446

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Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-3
0.446

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CC(=O)NCCN1CCC(CNS(C)(=O)=O)(CC(=O)Nc2cnccc2C)CC1

SIM-DEM-163f01e0-1
0.446

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

GAB-REV-70cc3ca5-3
0.444

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COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

MAT-POS-c9973a83-1
0.444

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COC(=O)c1cc(S(N)(=O)=O)ccc1CCC(=O)Nc1cnccc1C

PET-SGC-d0fd10df-1
0.443

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.443

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

BEN-DND-93268d01-13
0.441

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.441

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.441

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.441

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.441

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COc1ccc(-c2csc(CC(=O)Nc3cnccc3C)n2)cc1

GAB-REV-70cc3ca5-15
0.440

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Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.440

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Cc1ccncc1NC(=O)C1CCC12CCC2

MAT-POS-590ac91e-22
0.439

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

PED-UNI-292b67d6-1
0.438

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.438

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Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C)CC2)c1

DAR-DIA-0cde14eb-16
0.438

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.437

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

ALP-POS-95b75b4d-3
0.437

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

DAR-DIA-0cde14eb-76
0.437

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

JAN-GHE-83b26c96-14
0.437

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.435

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Cc1ccncc1NC(=O)C1(C#N)CCOC1

MAT-POS-590ac91e-27
0.435

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.435

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.435

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

MAK-UNK-372b0df5-3
0.435

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

DAR-DIA-0cde14eb-74
0.434

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.431

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CC(=O)N[C@@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-13
0.429

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.429

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Cc1ccncc1NC(=O)Cc1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-14
0.429

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.429

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Cc1ccncc1NC(=O)CC1(CN2CCC(O)CC2)CSCC1C

DOU-UNK-b5326f8f-18
0.427

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Cc1ccncc1NC(=O)C1CCC2(CC2)C1

MAT-POS-590ac91e-21
0.426

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

MAT-POS-590ac91e-8
0.426

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

EDJ-MED-e58735b6-3
0.425

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

DAR-DIA-0cde14eb-78
0.425

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

ERI-UCB-5b47150d-6
0.424

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.422

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.422

View
Cc1ccncc1NC(=O)[C@@H](C)OC(F)F

MAT-POS-5d20d11c-1
0.422

View
Cc1ccncc1NC(=O)[C@H](C)OC(F)F

MAT-POS-590ac91e-16
0.422

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-17
0.422

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(F)CC2)c1

DAR-DIA-0cde14eb-18
0.422

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(I)CC2)c1

DAR-DIA-0cde14eb-19
0.422

View
Cc1ccncc1NC(=O)Cc1cccc(OC(F)(F)F)c1

ANN-UNI-98d2bf15-5
0.419

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

TRY-UNI-2eddb1ff-1
0.417

View
COC1(CC(=O)Nc2cnccc2C)CCC1

0.900

View
COC1(CC(=O)Nc2ccncc2C)CCC1

0.727

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Cc1ccncc1NC(=O)CC1(C)CC1

0.714

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COC1(CC(=O)Nc2cnccc2C)CN(C(=O)OC(C)(C)C)C1

0.714

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COC1(CC(=O)Nc2cnccc2O)CCC1

0.711

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COCC1(CC(=O)Nc2cnccc2C)CC1

0.711

View
Cc1ccncc1NC(=O)CC1(CC(=O)Nc2cnccc2C)CCCC1

0.698

View
COC(=O)CC1(CC(=O)Nc2cnccc2C)CC1

0.696

View
Cc1ccncc1NC(=O)CC1(CC(=O)Nc2cnccc2C)CCCCC1

0.682

View
Cc1ccncc1NC(=O)CC1(C)CCCC1

0.682

View
COCC(=O)Nc1cnccc1C

0.675

View
COc1ccncc1NC(=O)CC1(OC)CCC1

0.674

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

0.667

View
Cc1ccncc1NC(=O)CC1(O)CCCC1

0.667

View
Cc1ccncc1NC(=O)CC1(C)CCCCC1

0.667

View
Cc1ccncc1NC(=O)CC1(O)CCC1

0.667

View
Cc1ccncc1NC(=O)CC1(N)CCC1

0.667

View
Cc1ccncc1NC(=O)CC1(CN)CC1

0.667

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COC1(CC(=O)Nc2cnccc2NC(C)=O)CCC1

0.660

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COC1(CC(=O)Nc2cnccc2OC(C)(C)C)CCC1

0.660

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COC1(CO)CN(C(=O)Nc2cnccc2C)C1

0.660

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Cc1ccncc1NC(=O)CC1(O)CCCCC1

0.652

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Cc1ccncc1NC(=O)CC1(C(F)(F)F)CC1

0.652

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

0.652

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

0.652

View
COC1(CC(=O)Nc2cnccc2C(F)(F)F)CCC1

0.646

View
COC1(CC(=O)Nc2cnccc2SC)CCC1

0.646

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COC1(CO)CCN(C(=O)Nc2cnccc2C)CC1

0.646

View
COC1(CNC(=O)Nc2cnccc2C)CCCC1

0.646

View
COC1(CNC(=O)Nc2cnccc2C)CCC1

0.646

View
COC1(CNC(=O)C(=O)Nc2cnccc2C)CCCC1

0.646

View
COC1(CNC(=O)C(=O)Nc2cnccc2C)CCC1

0.646

View
COCC1(CC(=O)Nc2cnccc2C)CCOCC1

0.640

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COC1(CC(=O)Nc2ccncc2Br)CCC1

0.638

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COC1(CC(=O)Nc2ccncc2F)CCC1

0.638

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COC1(CC(=O)Nc2ccc(NC(=O)CC3(OC)CCC3)c3cnccc23)CCC1

0.638

View
Cc1ccncc1NC(=O)CC1(C(=O)Nc2cnccc2C)CCCCC1

0.638

View
CSCC1(CC(=O)Nc2cnccc2C)CC1

0.638

View
Cc1ccncc1NC(=O)CC1(CO)CCC1

0.638

View
COC1(CC(=O)Nc2ccncc2I)CCC1

0.638

View
COC1(CC(=O)Nc2ccncc2O)CCC1

0.638

View
Cc1ccncc1NC(=O)N1CC2CC2C1

0.636

View
COC1(CNC(=O)Nc2cnccc2C)CCCCCC1

0.633

View
COC1(CNC(=O)Nc2cnccc2C)CCCCC1

0.633

View
COC1(CNC(=O)C(=O)Nc2cnccc2C)CCCCCC1

0.633

View
COC1(CNC(=O)C(=O)Nc2cnccc2C)CCCCC1

0.633

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

0.630

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COC1(C)CN(C(=O)Nc2cnccc2C)C1

0.630

View
COC1(CNC(=O)Nc2cnccc2C)CCC(C)CC1

0.627

View
COC1(CNC(=O)C(=O)Nc2cnccc2C)CCC(C)CC1

0.627

View
CCc1cnccc1NC(=O)CC1(OC)CCC1

0.625

View
COC1(CC(=O)Nc2ccncc2C(C)=O)CCC1

0.625

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

0.625

View
Cc1ccncc1NC(=O)CC1(CN)CCCCC1

0.625

View
COC1(CC(=O)Nc2cnncc2C)CCC1

0.622

View
Cc1ccncc1NC(=O)CC1CC1C

0.622

View
Cc1ccncc1NC(=O)CCC1(CCC(=O)Nc2cnccc2C)CC1

0.622

View
COC1(CC(=O)Nc2cnccc2-c2ccccc2)CCC1

0.620

View
CCOC(=O)C1(CC(=O)Nc2cnccc2C)CCC1

0.620

View
COC1(CC(=O)Nc2cc(-c3ccncc3)ccc2C)CCC1

0.620

View
COC1(CCNC(=O)Nc2cnccc2C)CCC1

0.620

View
Cc1ccncc1NC(=O)COCC(=O)Nc1cnccc1C

0.619

View
COC1(C)CCN(C(=O)Nc2cnccc2C)CC1

0.617

View
COC(=O)C1CC(C(=O)OC)CN(C(=O)Nc2cnccc2C)C1

0.617

View
COC1(CC(=O)Nc2cnccc2-n2ccnc2C)CCC1

0.615

View
COC(=O)CC(=O)Nc1cnccc1C

0.614

View
COCCC(=O)Nc1cnccc1C

0.614

View
Cc1ccncc1NC(=O)CC1CC1

0.614

View
COC1(CC(=O)Nc2ccncc2C#N)CCC1

0.612

View
Cc1ccncc1NC(=O)CC1(C#N)CCCCC1

0.612

View
Cc1ccncc1NC(=O)CCC1(CC(=O)Nc2cnccc2C)CCCCC1

0.612

View
COC1(OC)CC(CNC(=O)Nc2cnccc2C)C1

0.612

View
Cc1ccncc1NC(=O)CC1(N)CCSC1

0.612

View
Cc1ccncc1NC(=O)CN

0.610

View
Cc1ccncc1NC(=O)CCl

0.610

View
Cc1ccncc1NC(=O)CCC1(C)CC1

0.609

View
COC1(C(=O)Nc2cnccc2C)CCCC1

0.609

View
COC1(C(=O)Nc2cnccc2C)CCC1

0.609

View
CO[C@H]1CN(C(=O)Nc2cnccc2C)C[C@H]1OC

0.609

View
CCC(CC)Nc1ccncc1NC(=O)CC1(OC)CCC1

0.608

View
COC1(CNC(=O)Nc2cnccc2C)CCOCC1

0.608

View
COC1(CNC(=O)C(=O)Nc2cnccc2C)CCOCC1

0.608

View
COC1(CCNC(=O)C(=O)Nc2cnccc2C)CCC1

0.608

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

0.605

View
CONC(=O)C(=O)Nc1cnccc1C

0.605

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

0.604

View
Cc1ccncc1NC(=O)COC1(C)CCCC1

0.604

View
Cc1ccncc1NC(=O)COC1(C)CCC1

0.604

View
COCC1CN(C(=O)Nc2cnccc2C)C1

0.604

View
COC[C@@H]1CN(C(=O)Nc2cnccc2C)C[C@H]1COC

0.604

View
COC1(CC(=O)Nc2cnccc2-n2cc(C)cn2)CCC1

0.604

View
COC1(CC(=O)Nc2cc(-c3cccnc3)ccc2C)CCC1

0.604

View
COC1(CC(=O)Nc2ccccc2C)CCC1

0.600

View
COC(C)CC(=O)Nc1cnccc1C

0.600

View
CC(=O)NCC1(CC(=O)Nc2cnccc2C)CCCCC1

0.600

View
Cc1ccncc1NC(=O)CC1OCCC1(C)C

0.600

View
COC1(CC(=O)Nc2ccnc3ccncc23)CCC1

0.600

View
COC1(CC(=O)Nc2cnccc2Oc2ccccc2)CCC1

0.596

View
COC1(CC(=O)Nc2cnccc2N2CCN(C)CC2)CCC1

0.596

View
COC1(CNC(=O)Nc2cnccc2C)CCSC1

0.596

View

C(NC1=C(C)C=CN=C1)(=O)CC1CC1

0.812

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C(NC1=C(C)C=CN=C1)(CC1OCCC1)=O

0.788

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

0.772

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C(NC1=C(C)C=CN=C1)(=O)CC1OCCCC1

0.768

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C(NC1=C(C)C=CN=C1)(=O)CCC(C)C

0.756

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