Molecule Details

Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1
3-aminopyridine-like Enamine Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1
MW: 269.12
Fraction sp3: 0.13
HBA: 3
HBD: 2
Rotatable Bonds: 4
TPSA: 85.08
cLogP: 1.67
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: s_22____3391102____13600942
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 2.6551055
Average Inhibition @ 50 µM - Fluorescence: -5.830779
Average Inhibition @ 50 µM - RapidFire: 0.535
Relative Solubility @ 20 µM: 1.01
Relative Solubility @ 100 µM: 1.01
Order Status
Ordered: 2020-05-30
Synthesis Location: enamine
Shipped: 2020-06-24

Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.656

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.656

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.656

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.656

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.646

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.646

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.627

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

EDJ-MED-e58735b6-3
0.623

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

DAR-DIA-0cde14eb-76
0.618

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

JAN-GHE-83b26c96-14
0.618

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

ALP-POS-95b75b4d-3
0.618

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.614

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

TRY-UNI-714a760b-20
0.609

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

DAR-DIA-0cde14eb-79
0.600

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

DAR-DIA-0cde14eb-78
0.600

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

RAL-THA-6b94ceba-6
0.600

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

DAR-DIA-0cde14eb-1
0.592

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

ANN-UNI-98d2bf15-5
0.592

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.587

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

DAR-DIA-0cde14eb-2
0.583

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

DAR-DIA-0cde14eb-3
0.575

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

DAR-DIA-0cde14eb-4
0.575

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

DAR-DIA-0cde14eb-77
0.575

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

EDJ-MED-e58735b6-4
0.560

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

DAR-DIA-0cde14eb-14
0.553

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.549

View
Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.545

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.542

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.538

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

RAL-THA-901e9a10-7
0.538

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

BRU-LEF-c49414a7-1
0.538

View
Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.526

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.522

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.522

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.515

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

GAB-REV-70cc3ca5-20
0.514

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.500

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.500

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

RAL-THA-6b94ceba-7
0.500

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.494

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

RAL-THA-6b94ceba-15
0.494

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.493

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

WIL-MOD-03b86a88-3
0.487

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

TRY-UNI-2eddb1ff-1
0.486

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

EDJ-MED-c9f55a56-1
0.486

View
Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.485

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.484

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.484

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

RAL-THA-6b94ceba-13
0.481

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

MAT-POS-c9973a83-1
0.474

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.472

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

ALP-POS-95b75b4d-9
0.467

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.463

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

WIL-MOD-03b86a88-6
0.463

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

DAR-DIA-0cde14eb-62
0.462

View
Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.459

View
NC(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ANN-UNI-98d2bf15-3
0.459

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

RAL-THA-6b94ceba-5
0.456

View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.456

View
Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.456

View
Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.452

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

BAR-COM-0f94fc3d-28
0.451

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

WIL-MOD-03b86a88-5
0.450

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

RAL-THA-6b94ceba-12
0.450

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

RAL-THA-6b94ceba-14
0.450

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

RAL-THA-6b94ceba-16
0.450

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

DAR-DIA-0cde14eb-61
0.449

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

DAR-DIA-0cde14eb-64
0.449

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.446

View
Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.444

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

RAL-THA-6b94ceba-8
0.444

View
Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.444

View
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.443

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

DAR-DIA-0cde14eb-63
0.443

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.443

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

RAL-THA-901e9a10-8
0.442

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

MAT-POS-590ac91e-11
0.441

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2nnc[nH]2)c1

RAL-THA-6b94ceba-10
0.440

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

WIL-MOD-03b86a88-2
0.439

View
Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.439

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

RAL-THA-6b94ceba-9
0.439

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.438

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

RAL-THA-901e9a10-1
0.435

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

WIL-MOD-03b86a88-4
0.435

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.434

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

MAT-POS-e501d84c-1
0.434

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

RAL-THA-6b94ceba-11
0.434

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.433

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.433

View
Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.432

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

DAR-DIA-0cde14eb-16
0.430

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(/C=C(/c2ccccc2)C(F)(F)F)c1

MAT-POS-f42f3716-8
0.429

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

DAR-DIA-0cde14eb-74
0.427

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.425

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
0.425

View
Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.425

View
Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.425

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

ALP-POS-95b75b4d-8
0.425

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2C(C(F)(F)F)C2C(F)(F)F)c1

MAT-POS-044491d2-4
0.424

View
COC(=O)c1ccc(-c2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2)c(OC)c1

MAT-POS-f42f3716-3
0.422

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

0.792

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.745

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.739

View
Cc1ccncc1NC(=O)Cc1ccc(C(N)=O)cc1

0.739

View
CC(C)(C)Oc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1

0.725

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.723

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.723

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.723

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

0.720

View
Cc1ccncc1NCc1cccc(C(N)=O)c1

0.708

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

0.706

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

0.706

View
CCC(CC)Nc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1

0.698

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.694

View
Cc1ccncc1NC(=O)NCCc1cccc(C(N)=O)c1

0.692

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

0.692

View
Cc1ccncc1NC(=O)c1cccc(C(N)=O)c1

0.681

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccnc1

0.680

View
COCc1cccc(CC(=O)Nc2cnccc2C)c1

0.680

View
Cc1ccncc1NC(=O)C(=O)NCCc1cccc(C(N)=O)c1

0.679

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.674

View
CN1CCN(c2ccncc2NC(=O)Cc2cccc(C(N)=O)c2)CC1

0.673

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

0.667

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

0.667

View
COC(=O)c1cccc(CC(=O)Nc2ccncc2C)c1

0.667

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.660

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

0.659

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

0.654

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

0.654

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

0.653

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.652

View
Cc1ccncc1NC(=O)CCOc1cccc(C(N)=O)c1

0.648

View
Cc1cc(C(N)=O)ccc1NC(=O)Cc1cccnc1

0.647

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(C(=O)O)c1

0.647

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.644

View
Cc1ccncc1NC(=O)N(Cc1cccc(C(N)=O)c1)C1CC1

0.643

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

0.642

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

0.642

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

0.642

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

0.642

View
CCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.642

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

0.642

View
Cc1ccncc1NC(=O)Cc1ccc2ccccc2c1

0.640

View
Cc1cnccc1NC(=O)Cc1cccc(F)c1

0.640

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

0.638

View
Cc1ccc(C(C)C)cc1NC(=O)Cc1cccc(C(N)=O)c1

0.635

View
COC(=O)c1cccc(CC(=O)Nc2cc(C(N)=O)ccc2C)c1

0.635

View
Cc1ccc(CN(C)C)cc1NC(=O)Cc1cccc(C(N)=O)c1

0.635

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccncc1

0.633

View
Cc1cccc(CC(=O)Nc2ccncc2C)c1

0.633

View
Cc1cnccc1NC(=O)Cc1ccc(C(N)=O)cc1

0.633

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

0.630

View
CC(C)c1ncncc1NC(=O)Cc1cccc(C(N)=O)c1

0.630

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(Br)c1

0.627

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.625

View
Cc1ccncc1NC(=O)Cc1ccc(CN)cc1

0.625

View
COC(=O)Cc1cccc(C(=O)Nc2cnccc2C)c1

0.623

View
Cc1cccc(CC(=O)Nc2cc(C(N)=O)ccc2C)c1

0.620

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

0.620

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1O

0.620

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1Br

0.620

View
Cc1cnccc1NC(=O)Cc1cccc(Br)c1

0.620

View
Cc1cnccc1NCc1cccc(C(N)=O)c1

0.620

View
Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.620

View
Cc1cnccc1NC(=O)Cc1cccc(I)c1

0.620

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

0.618

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccnc2)c1

0.618

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

0.618

View
COCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.618

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.617

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

0.617

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.617

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.612

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.612

View
CC(=O)c1ccc(CC(=O)Nc2cnccc2C)cc1

0.612

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

0.612

View
Cc1cncc(CC(=O)Nc2cnccc2C)c1

0.612

View
COC(=O)c1cccc(CC(=O)Nc2cnccc2O)c1

0.611

View
COC(=O)c1cccc(CC(=O)Nc2cnccc2OC)c1

0.611

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(OCc2cccnc2)c1

0.610

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(F)c1

0.608

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(Cl)c1

0.608

View
Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(I)c1

0.608

View
COc1cc(CC(=O)Nc2cnccc2C)ccc1C

0.608

View
Cc1ccncc1NC(=O)c1cccc(CCl)c1

0.608

View
Cc1ccncc1NC(=O)c1cccc(CO)c1

0.608

View
Cc1ccncc1NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1

0.607

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

0.607

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

0.607

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

0.607

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

0.607

View
Cc1ccncc1NC(=O)Cc1cccc(OCCCOc2ccccc2)c1

0.607

View
CCC(C)n1ncc(NC(=O)Cc2cccc(C(N)=O)c2)c1C

0.607

View
Cc1ccncc1NC(=O)Cc1ccc(O)cc1

0.604

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.604

View
Cc1ccncc1NC(=O)c1cccc(CS(N)(=O)=O)c1

0.604

View
COC(=O)c1cccc(CC(=O)Nc2ccc(C(N)=O)cc2C)c1

0.604

View
Cc1cc(CN(C)C)ccc1NC(=O)Cc1cccc(C(N)=O)c1

0.604

View
CCc1c(NC(=O)Cc2cccc(C(N)=O)c2)cnn1C

0.604

View
Cc1cnccc1NC(=O)NCc1cccc(C(N)=O)c1

0.604

View

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

0.883

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

0.816

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

0.807

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

0.806

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

0.804

View


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