Molecule Details

Cc1ccncc1NC(=O)Cc1cccc(CO)c1
3-aminopyridine-like Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)Cc1cccc(CO)c1
MW: 256.12
Fraction sp3: 0.2
HBA: 3
HBD: 2
Rotatable Bonds: 4
TPSA: 62.22
cLogP: 2.06
Covalent Warhead:
Covalent Fragment:
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 2.86527195
Average Inhibition @ 50 µM - Fluorescence: 6.0491525
Average Inhibition @ 50 µM - RapidFire: 1.13630184
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-10
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.700

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.700

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.700

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.689

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.689

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.667

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

ANN-UNI-98d2bf15-2
0.656

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

ALP-POS-95b75b4d-3
0.656

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

DAR-DIA-0cde14eb-76
0.656

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

JAN-GHE-83b26c96-14
0.656

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

TRY-UNI-714a760b-20
0.646

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.643

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

DAR-DIA-0cde14eb-2
0.642

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

EDJ-MED-e58735b6-3
0.636

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

DAR-DIA-0cde14eb-79
0.636

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

DAR-DIA-0cde14eb-78
0.636

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.627

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

DAR-DIA-0cde14eb-1
0.627

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

ANN-UNI-98d2bf15-5
0.627

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.627

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CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

DAR-DIA-0cde14eb-77
0.609

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

DAR-DIA-0cde14eb-4
0.609

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

DAR-DIA-0cde14eb-3
0.609

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Cc1ccncc1NC(=O)Cc1cccc(-c2cn[nH]c2)c1

EDJ-MED-e58735b6-4
0.592

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

DAR-DIA-0cde14eb-14
0.583

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.574

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Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

BRU-LEF-c49414a7-1
0.568

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Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-7
0.568

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.554

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.554

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.549

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.547

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.530

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

GAB-REV-70cc3ca5-20
0.522

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.521

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.517

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

EDJ-MED-c9f55a56-1
0.515

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

TRY-UNI-2eddb1ff-1
0.514

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.514

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Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.514

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.507

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

RAL-THA-6b94ceba-15
0.500

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.500

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

RAL-THA-6b94ceba-5
0.500

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

RAL-THA-6b94ceba-6
0.500

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

MAT-POS-c9973a83-1
0.500

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CNS(=O)(=O)Cc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-16
0.493

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CNS(C)(=O)=O)c1

RAL-THA-6b94ceba-12
0.493

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

WIL-MOD-03b86a88-3
0.493

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

DAR-DIA-0cde14eb-61
0.493

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.492

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.492

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.492

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

RAL-THA-6b94ceba-8
0.487

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CNC(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-7
0.486

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

RAL-THA-6b94ceba-13
0.486

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.486

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Cc1ccncc1NC(=O)CC(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

MAK-UNK-f203cb68-3
0.481

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Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.478

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Cc1ccncc1NC(=O)Cc1ccncc1NC(=O)C(C)c1cccc(Cl)c1

MAK-UNK-f203cb68-4
0.476

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC23CC(C2)C3)c1

MAT-POS-e501d84c-1
0.474

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CNS(=O)(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-14
0.474

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NS(C)(=O)=O)c1

WIL-MOD-03b86a88-5
0.474

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

DAR-DIA-0cde14eb-64
0.473

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.471

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.470

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

MAT-POS-590ac91e-11
0.469

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

WIL-MOD-03b86a88-6
0.468

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

DAR-DIA-0cde14eb-62
0.467

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

DAR-DIA-0cde14eb-63
0.467

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.464

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.464

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Cc1ccncc1NC(=O)Cc1ccc(Cl)c(OC2CC(=O)N2)c1

RAL-THA-901e9a10-8
0.463

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ncc[nH]2)c1

RAL-THA-6b94ceba-9
0.462

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

WIL-MOD-03b86a88-2
0.462

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Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.461

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.461

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.458

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

BEN-DND-93268d01-13
0.457

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.457

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Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-1
0.457

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.456

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

GAB-REV-70cc3ca5-21
0.456

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnc[nH]2)c1

RAL-THA-6b94ceba-11
0.456

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

BAR-COM-0f94fc3d-28
0.456

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Cc1ccncc1NC(=O)C(CO)c1cccc(Cl)c1

EDG-MED-0da5ad92-5
0.452

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CC(C)c1ccncc1NC(=O)Cc1cccc(Cl)c1

MAT-POS-bb423b95-5
0.452

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Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

ALP-POS-95b75b4d-9
0.452

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

DAR-DIA-0cde14eb-16
0.451

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CCc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-6
0.451

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.451

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.449

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

ALP-POS-95b75b4d-8
0.449

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
0.449

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.449

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.449

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

DAR-DIA-0cde14eb-74
0.449

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.447

View
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.447

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CC2CC3(CC3)N2)c1

DAR-DIA-23e5a6a0-29
0.446

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.773

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.756

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.756

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.756

View
COCc1cccc(CC(=O)Nc2cnccc2C)c1

0.745

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.739

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.723

View
Cc1ccncc1NC(=O)NCc1cccc(CO)c1

0.708

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.705

View
Cc1ccncc1NC(=O)c1cccc(CO)c1

0.702

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

0.694

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

0.694

View
Cc1ccncc1NC(=O)C(=O)NCc1cccc(CO)c1

0.694

View
Cc1ccncc1NC(=O)Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.690

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.689

View
Cc1ccc(CO)cc1NC(=O)Cc1cccnc1

0.688

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.682

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1O

0.681

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

0.680

View
COC(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.680

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

0.680

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.674

View
Cc1ccncc1NC(=O)CCc1cccc(CCC(=O)Nc2cnccc2C)c1

0.674

View
Cc1ccncc1NC(=O)Cc1ccccc1CO

0.674

View
Cc1ccncc1NC(=O)Cc1ccc2ccccc2c1

0.667

View
Cc1ccncc1NC(=O)Cc1ccc(O)cc1

0.667

View
Cc1cc(C)cc(CC(=O)Nc2cnccc2C)c1

0.667

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

0.667

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

0.667

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

0.667

View
CCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.667

View
CCS(=O)(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.667

View
Cc1ccncc1NC(=O)Cc1cncc(O)c1

0.660

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

0.654

View
Cc1ccncc1CC(=O)Nc1cc(CO)ccc1C

0.653

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.652

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(Cl)c1

0.646

View
Cc1ccncc1NC(=O)Cc1ccc(F)c(F)c1

0.646

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1Br

0.646

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.644

View
Cc1cc(C)c(CC(=O)Nc2cnccc2C)c(C)c1

0.644

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.644

View
Cc1ccncc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1

0.642

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccnc2)c1

0.642

View
CNC(=O)COc1cccc(CC(=O)Nc2cnccc2C)c1

0.642

View
COCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.642

View
Cc1ccncc1NC(=O)Cc1ccc(O)c(F)c1

0.640

View
Cc1ccc(CO)cc1NC(=O)Cc1ccncc1

0.638

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Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.638

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.638

View
Cc1cncc(CC(=O)Nc2cnccc2C)c1

0.638

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

0.635

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

0.635

View
Cc1ccc(CO)cc1NC(=O)Cc1cccc(Br)c1

0.633

View
COc1cc(CC(=O)Nc2cnccc2C)ccc1C

0.633

View
Cc1cccc(CC(=O)Nc2cnccc2O)c1

0.633

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.630

View
Cc1cccc(COc2cccc(CC(=O)Nc3cnccc3C)c2)c1

0.630

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

0.630

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

0.630

View
CC(C)=CCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.630

View
Cc1ccncc1NC(=O)Cc1cccc(OCCCOc2ccccc2)c1

0.630

View
Cc1ccncc1NC(=O)CO

0.628

View
Cc1cccc(CC(=O)Nc2cc(CO)ccc2C)c1

0.625

View
Cc1ccncc1NC(=O)Cc1ccc(-c2ccccc2)cc1

0.625

View
Cc1ccncc1NC(=O)CCc1ccc(CO)cc1

0.625

View
Cc1cccc(CC(=O)Nc2ccncc2C)c1

0.625

View
COc1ccc(CC(=O)Nc2cnccc2C)cc1OC

0.620

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)CCCC2

0.620

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)CCC2

0.620

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.618

View
Cc1ccccc1COc1cccc(CC(=O)Nc2cnccc2C)c1

0.618

View
Cc1ccncc1NC(=O)Cc1cccc(OCC2CC2)c1

0.618

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.617

View
Cc1ccncc1NC(=O)Cc1ccc(Br)cc1

0.617

View
Cc1ccncc1NC(=O)Cc1ccc(I)cc1

0.617

View
Cc1ccncc1NC(=O)Cc1ccc(CN)cc1

0.617

View
COc1cc(CC(=O)Nc2cnccc2C)ccc1O

0.615

View
Cc1ccncc1NC(=O)Cc1ccc2ncsc2c1

0.615

View
Cc1ccc(CO)cc1NC(=O)Cc1cccc(OCc2cccnc2)c1

0.614

View
Cc1ccc(CO)cc1NC(=O)Cc1cccc(Cl)c1

0.612

View
Cc1ccc(CO)cc1NC(=O)Cc1cccc(I)c1

0.612

View
Cc1ccncc1NC(=O)CNC(=O)Cc1ccccc1

0.612

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

0.612

View
Cc1ccncc1NC(=O)Cc1ccc(-n2cccc2)cc1

0.612

View
Cc1ccncc1NC(=O)Cc1cccc(C)c1Cl

0.612

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1Cl

0.612

View
COc1cccc(OC)c1CC(=O)Nc1cnccc1C

0.612

View
Cc1cnccc1NC(=O)Cc1cccc(Br)c1

0.612

View
Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.612

View
Cc1cnccc1NC(=O)Cc1cccc(I)c1

0.612

View
Cc1cnccc1CC(=O)Nc1cccc(CO)c1

0.608

View
COCc1cccc(CC(=O)Nc2cc(CO)ccc2C)c1

0.608

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)OCCO2

0.608

View
COc1cc(CC(=O)Nc2cnccc2C)cc(OC)c1O

0.608

View
Cc1ccncc1NC(=O)Cc1ccc(F)c(Br)c1

0.608

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1

0.608

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)COC2

0.608

View
Cc1ccncc1NC(=O)Cc1ccc(Br)c(Cl)c1

0.608

View
Cc1ccncc1NC(=O)Cc1ccc(Br)c(F)c1

0.608

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.194

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.193

View
Cc1ccc(C)c(CC(=O)Nc2cccnc2)c1

0.176

View
Cc1ccc(CC(=O)Nc2cccnc2)cc1C

0.172

View
Cc1cccc(CC(=O)Nc2cccnc2)c1

0.158

View
C(NC1=C(C)C=CN=C1)(=O)CC1C=CC=C(C)C=1

0.941

View
C(NC1=C(C)C=CN=C1)(=O)CC1=CC=C(COC)C=C1

0.876

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

0.860

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

0.857

View
C(NC1=C(C)C=CN=C1)(=O)CC1C=CC(F)=C(C)C=1

0.854

View


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