Molecule Details

Cc1ccncc1NC(=O)CN1CCOCC1
3-aminopyridine-like Enamine Mcule Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CN1CCOCC1
MW: 235.13
Fraction sp3: 0.5
HBA: 4
HBD: 1
Rotatable Bonds: 3
TPSA: 54.46
cLogP: 0.66
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z1551794845
Enamine Extended REAL: s_22____3391102____7941832
Mcule Ultimate: QOKTVTFRZUAEQT-UHFFFAOYSA-N
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -2.39462595
Average Inhibition @ 50 µM - Fluorescence: -7.758153
Average Inhibition @ 50 µM - RapidFire: 5.69542292353812
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-07-08
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.702

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.702

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

BEN-DND-93268d01-8
0.678

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.569

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Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

ANU-UNK-2781581f-1
0.556

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Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

RED-SAT-26a928c9-1
0.556

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.536

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.533

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.516

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.508

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.493

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.492

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.484

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

MAT-POS-590ac91e-11
0.484

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.481

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.481

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.477

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.477

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.470

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.470

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.470

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.470

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.470

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.470

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Cc1ccncc1NC(=O)CN1CCCc2ccccc21

BEN-DND-93268d01-12
0.468

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.464

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.463

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.463

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.462

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

DAR-DIA-0cde14eb-63
0.459

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.456

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.456

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

MAT-POS-590ac91e-15
0.456

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Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21

BAR-COM-0f94fc3d-41
0.453

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Cc1ccncc1NC(=O)Cc1ccc(N2CCCOCC2)cn1

PET-SGC-6016d8e6-1
0.451

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

GAB-REV-70cc3ca5-20
0.449

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.449

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.449

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.449

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.449

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

GAB-REV-70cc3ca5-21
0.448

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Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21

BAR-COM-0f94fc3d-18
0.447

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Cc1ccncc1NC(=O)N1CCN(C)CC1

ALE-HEI-f28a35b5-17
0.446

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Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.446

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

DAR-DIA-0cde14eb-61
0.446

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

DAR-DIA-0cde14eb-64
0.446

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.443

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

MAK-UNK-372b0df5-3
0.443

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Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1CNC(=O)N1CCOCC1

PET-SGC-276eba5a-1
0.442

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.441

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

EDJ-MED-c9f55a56-1
0.441

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.441

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

DAR-DIA-0cde14eb-62
0.440

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.438

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.437

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.437

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C2COC2)c1

WIL-MOD-03b86a88-2
0.436

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.435

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.435

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

DAR-DIA-0cde14eb-4
0.434

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Cc1ccncc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21

BAR-COM-0f94fc3d-48
0.434

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Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.433

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.431

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Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.431

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Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2

BAR-COM-0f94fc3d-28
0.430

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

BEN-DND-93268d01-13
0.429

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.427

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

DAR-DIA-0cde14eb-1
0.427

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Cc1ccncc1NC(=O)Cc1ccccc1CN1CCC(O)CC1

SAM-UNK-2684b532-9
0.425

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Cc1ccncc1NC(=O)C[C@H](c1ccccc1)N1CCC(O)CC1

ALP-POS-90c18d1d-1
0.425

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.425

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

JAN-GHE-83b26c96-14
0.425

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

TRY-UNI-2eddb1ff-1
0.425

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

ALP-POS-95b75b4d-3
0.425

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

DAR-DIA-0cde14eb-76
0.425

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

ANN-UNI-98d2bf15-2
0.425

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

DAR-DIA-0cde14eb-74
0.423

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.423

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

MAT-POS-590ac91e-27
0.423

View
CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.422

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(S(N)(=O)=O)c1

RAL-THA-6b94ceba-13
0.421

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.421

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

DAR-DIA-0cde14eb-2
0.421

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.419

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

TRY-UNI-714a760b-20
0.419

View
Cc1ccncc1NC(=O)C1C2CCOCC21

MAT-POS-590ac91e-28
0.417

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

DAR-DIA-0cde14eb-3
0.416

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CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-5
0.416

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CS(N)(=O)=O)c1

RAL-THA-6b94ceba-15
0.416

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2COC2)c1

WIL-MOD-03b86a88-4
0.415

View
Cc1ccncc1NC(=O)[C@@]12COC[C@@H]1C2

MAT-POS-590ac91e-3
0.414

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C(N)=O)c1

RAL-THA-6b94ceba-6
0.413

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

GAB-REV-70cc3ca5-3
0.413

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

DAR-DIA-0cde14eb-78
0.413

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

EDJ-MED-e58735b6-3
0.413

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

MAT-POS-c9973a83-1
0.413

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

DAR-DIA-0cde14eb-79
0.413

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

MAT-POS-590ac91e-2
0.413

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

ERI-UCB-5b47150d-1
0.413

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

MAT-POS-590ac91e-1
0.413

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Cc1ccncc1NC(=O)CN1CCOCC1

1.000

View
Cc1ccncc1NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.804

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Cc1ccncc1NC(=O)CN1CCCC1

0.780

View
Cc1ccncc1NC(=O)CCN1CCOCC1

0.773

View
Cc1ccncc1NC(=O)CN1CCNCC1

0.744

View
Cc1ccncc1NC(=O)CCCCN1CCOCC1

0.723

View
Cc1ccncc1NC(=O)CN1CCS(=O)(=O)CC1

0.711

View
Cc1ccncc1NC(=O)CN1CCC(C)CC1

0.711

View
Cc1ccncc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1

0.708

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O=C(CN1CCOCC1)Nc1ccncc1I

0.689

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O=C(CN1CCOCC1)Nc1ccncc1N1CCOCC1

0.689

View
O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c2cnccc12

0.689

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Cc1ccncc1NC(=O)CCC(=O)N1CCOCC1

0.681

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

0.681

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Cc1ccncc1NC(=O)C(C)(C)CN1CCOCC1

0.681

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Cc1ccncc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1

0.680

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Cc1ccccc1NC(=O)CN1CCOCC1

0.674

View
Cc1ccncc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.673

View
Cc1ccncc1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.673

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CN1CCN(c2ccncc2NC(=O)CN2CCOCC2)CC1

0.673

View
CCC(CC)Nc1ccncc1NC(=O)CN1CCOCC1

0.673

View
Cc1ccncc1NC(=O)C(C)CN1CCOCC1

0.667

View
Cc1ccncc1NC(=O)CN1CCC(CO)CC1

0.667

View
Cc1ccc(-c2cccnc2)cc1NC(=O)CN1CCOCC1

0.667

View
O=C(CN1CCOCC1)Nc1cnccc1-c1ccccc1

0.667

View
Cc1ccncc1NC(=O)NCCN1CCOCC1

0.667

View
Cc1ccncc1NC(=O)CC1(N2CCOCC2)CCCC1

0.660

View
Cc1ccncc1CNC(=O)CN1CCOCC1

0.660

View
Cc1ccncc1NC(=O)N1CCOCC1

0.659

View
Cc1ccncc1NC(=O)C=CCN1CCOCC1

0.653

View
O=C(CN1CCOCC1)Nc1cnccc1Nc1ccccc1

0.653

View
Cc1ccncc1NC(=O)C(=O)NCCN1CCOCC1

0.653

View
Cc1ccc(O)cc1NC(=O)CN1CCOCC1

0.652

View
Cc1ccncc1NC(=O)CN1CSCCSC1

0.652

View
Cc1ccncc1NC(=O)CN1CCOC1=O

0.646

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Cc1ccc(C)c(NC(=O)CN2CCOCC2)c1

0.644

View
Cc1cnccc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.640

View
Cc1cnccc1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.640

View
Cc1ccncc1NC(=O)CSCC(=O)N1CCOCC1

0.640

View
Cc1ccncc1NC(=O)c1ccc(CN2CCOCC2)cc1

0.640

View
Cc1ccncc1NC(=O)Cc1ccc(N2CCOCC2)cc1

0.640

View
Cc1ccncc1NC(=O)NCCCN1CCOCC1

0.640

View
Cc1ccncc1NC(=O)NC(C)CN1CCOCC1

0.640

View
Cc1ccncc1NC(=O)N(C)CCN1CCOCC1

0.640

View
Cc1ccncc1NC(=O)NC(C)(C)CN1CCOCC1

0.640

View
Cc1ccncc1NC(=O)CC1CCOCC1

0.638

View
Cc1c(Br)cncc1NC(=O)CN1CCOCC1

0.638

View
O=C(CN1CCOCC1)Nc1cccc2cnccc12

0.633

View
Cc1ccncc1NC(=O)CN1CCNC(=O)C1

0.633

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

0.633

View
Cc1ccncc1CCNC(=O)CN1CCOCC1

0.633

View
Cc1ccncc1C(C)NC(=O)CN1CCOCC1

0.633

View
Cc1ccc(CN2CCOCC2)cc1NC(=O)CN1CCOCC1

0.630

View
Cc1ccc(NC(=O)CN2CCOCC2)cc1NC(=O)CN1CCOCC1

0.630

View
Cc1ccncc1NC(=O)C(=O)N1CCOCC1

0.630

View
O=C(CN1CCOCC1)Nc1ccncc1

0.628

View
Cc1cc(C)c(NC(=O)CN2CCOCC2)cc1NC(=O)CN1CCOCC1

0.628

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

0.627

View
Cc1ccncc1NC(=O)CN1CCN(c2ccccn2)CC1

0.627

View
Cc1ccncc1NC(=O)CC(N1CCOCC1)C(F)(F)F

0.627

View
Cc1ccncc1NC(=O)CC(C(F)F)N1CCOCC1

0.627

View
Cc1ccncc1NC(=O)C(=O)NCCCN1CCOCC1

0.627

View
Cc1ccncc1NC(=O)C(=O)NC(C)CN1CCOCC1

0.627

View
Cc1ccncc1NC(=O)C1(N2CCOCC2)CC1

0.625

View
Cc1cnccc1NC(=O)CCN1CCOCC1

0.625

View
Cc1cnccc1CNC(=O)CN1CCOCC1

0.625

View
O=C(CN1CCCC1)Nc1ccncc1N1CCOCC1

0.625

View
Cc1ccncc1C=CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.623

View
Cc1ccncc1CC(=O)Nc1cc(CN2CCOCC2)ccc1C

0.623

View
Cc1ccncc1CNC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.623

View
Cc1ccncc1C(C)Nc1ccc(NC(=O)CN2CCOCC2)cc1

0.623

View
Cc1cnccc1NC(=O)CN1CCCC1

0.622

View
CN1CCN(CC(=O)Nc2ccncc2N2CCOCC2)CC1

0.620

View
Cc1ccncc1NC(=O)NCC1(N2CCOCC2)CC1

0.620

View
Cc1ccncc1NC(=O)C(=O)NCC1(N2CCOCC2)CC1

0.620

View
Cc1ccc(F)cc1NC(=O)CN1CCOCC1

0.617

View
Cc1cc(O)ccc1NC(=O)CN1CCOCC1

0.617

View
Cc1ccc(Br)cc1NC(=O)CN1CCOCC1

0.617

View
Cc1ncccc1NC(=O)CN1CCOCC1

0.617

View
Cc1ccc(I)cc1NC(=O)CN1CCOCC1

0.617

View
Cc1ccc(Cl)cc1NC(=O)CN1CCOCC1

0.617

View
Cc1ccccc1NC(=O)CN1CCCOCC1

0.617

View
Cc1ccncc1NC(=O)N1CCN(C(=O)N2CCOCC2)CC1

0.617

View
Cc1ccc(N)cc1NC(=O)CN1CCOCC1

0.617

View
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cnccc3C)CC2)cc1

0.615

View
Cc1ccncc1NC(=O)c1ccccc1CN1CCOCC1

0.615

View
Cc1ccncc1NC(=O)c1ccc(CN2CCOCC2)o1

0.615

View
Cc1cc(Oc2ccncc2)ccc1NC(=O)CN1CCOCC1

0.615

View
Cc1ccncc1NC(=O)N(CCO)CCN1CCOCC1

0.615

View
Cc1ccncc1NC(=O)NCC(C)CN1CCOCC1

0.615

View
Cc1ccncc1NC(=O)N(C)CCCN1CCOCC1

0.615

View
CCC(CN1CCOCC1)NC(=O)Nc1cnccc1C

0.615

View
Cc1ccncc1NC(=O)NCCN1CCCOCC1

0.615

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Cc1ccncc1NC(=O)N(C)C(C)CN1CCOCC1

0.615

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Cc1ccncc1NC(=O)C(=O)NCCCCN1CCOCC1

0.615

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Cc1ccncc1NC(=O)C(=O)N(C)CCN1CCOCC1

0.615

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Cc1cnccc1CNc1ccc(NC(=O)CN2CCOCC2)cc1

0.615

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Cc1ccncc1NC(=O)CCC1CCOCC1

0.612

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CNC(=O)CN1CCN(C(=O)Nc2cnccc2C)CC1

0.612

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Cc1ccncc1NC(=O)N(CCCN1CCOCC1)Cc1ccncc1

0.611

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C(NC1=C(C)C=CN=C1)(=O)CN1CCOCC1

1.000

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C(NC1=CN=CC(Cl)=C1C)(=O)CN1CCOCC1

0.884

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N1(CC(=O)NC2=CC=CN=C2)CCOCC1

0.862

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C(NC1=C(C)C(OC)=CN=C1)(=O)CN1CCOCC1

0.823

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C(NC1=CN=CC(C#N)=C1C)(=O)CN1CCOCC1

0.821

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