Molecule Details

Cc1ccc(NC(=O)Nc2cccnc2)s1
3-aminopyridine-like Enamine MolPort Assayed
View on Fragalysis x2608
Molecular Properties
SMILES:
Cc1ccc(NC(=O)Nc2cccnc2)s1
MW: 233.296
Fraction sp3: 0.09
HBA: 3
HBD: 2
Rotatable Bonds: 2
TPSA: 54.02
cLogP: 3.09552
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z1286870272
Enamine REAL: Z1286870272
MolPort: MolPort-047-312-545
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 1.901842
Average Inhibition @ 50 µM - Fluorescence: 11.32011
Average Inhibition @ 20 µM - RapidFire: 2.6175
Average Inhibition @ 50 µM - RapidFire: 28.585
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 0.96
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-04-17
O=C(Nc1cccnc1)Nc1ccc(Cl)s1

DAR-DIA-842b4336-4
0.660

View
N#Cc1ccc(NC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-5
0.625

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Cc1nnc(NC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-4
0.552

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11
0.528

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O=C(Nc1cccnc1)Nc1ccsc1

DAR-DIA-842b4336-1
0.518

View
Cc1cccc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-6
0.517

View
O=C1CC(Oc2ccc(NC(=O)Nc3cccnc3)s2)N1

TRY-UNI-bbd40bb4-4
0.515

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Cn1cc(NC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-2
0.500

View
O=C(Nc1cccnc1)Nc1ccsc1Cl

MAK-UNK-d1e89583-2
0.500

View
Cc1coc(NC(=O)Nc2cccnc2)n1

DAR-DIA-842b4336-7
0.492

View
Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-12
0.492

View
Cc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-5
0.484

View
O=C(Nc1cccnc1)Nc1csc(Cl)c1

MAK-UNK-d1e89583-7
0.483

View
O=C(Nc1cccnc1)Nc1ccncc1Cl

MAK-UNK-d1e89583-4
0.483

View
O=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1

WAR-XCH-eb7b662f-3
0.483

View
O=C1CC(OCc2ccc(NC(=O)Nc3cccnc3)s2)N1

TRY-UNI-bbd40bb4-3
0.479

View
O=C(Nc1cccnc1)Nc1cncc(Cl)c1

DAR-DIA-23aa0b97-15
0.475

View
CC(C)(C)c1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-21
0.468

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

DAR-DIA-23aa0b97-14
0.467

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

WAR-XCH-eb7b662f-7
0.467

View
N#Cc1ccc(NC(=O)Nc2cccnc2)cc1

ANN-UNI-26382800-3
0.467

View
N#Cc1ccc(NC(=O)Nc2cccnc2)cc1

JOH-UNK-14e6adc5-2
0.467

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

JOR-UNI-2fc98d0b-7
0.467

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

JAN-GHE-83b26c96-19
0.467

View
CC(=O)C(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-3
0.453

View
O=C(NC/C=C/Cl)Nc1cccnc1

MAK-UNK-d1e89583-1
0.450

View
O=C(NCCBr)Nc1cccnc1

ALE-HEI-f28a35b5-15
0.448

View
O=C(Nc1cccnc1)Nc1cc(O)cc(Cl)c1

WAR-XCH-eb7b662f-4
0.444

View
O=C(Nc1cccnc1)Nc1nc(Cl)co1

DAR-DIA-842b4336-8
0.444

View
N#Cc1cncc(NC(=O)Nc2cccnc2)c1

CHR-SOS-363cfb78-1
0.444

View
CC(C)(C)c1cc(N)cc(NC(=O)Nc2cccnc2)c1

SAD-SAT-689b7d5a-3
0.439

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COC(C)(C)c1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-22
0.439

View
N#Cc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-2
0.439

View
N#Cc1cccc(NC(=O)Nc2cccnc2)c1

DAR-DIA-23aa0b97-5
0.438

View
N#Cc1cccc(NC(=O)Nc2cccnc2)c1

ANN-UNI-26382800-4
0.438

View
N#Cc1cccc(NC(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-2
0.438

View
N#Cc1cccc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-1
0.438

View
O=C(CC(=O)Nc1cccnc1)Nc1cccnc1

MAR-TRE-67513f76-81
0.434

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N#Cc1ccc(NC(=O)Nc2cccnc2)o1

DAR-DIA-842b4336-9
0.431

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C=CC(=O)Nc1cccnc1

MAK-UNK-ca11b4f7-2
0.426

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N#Cc1coc(NC(=O)Nc2cccnc2)n1

DAR-DIA-842b4336-6
0.424

View
O=C(Nc1cccnc1)Nc1cccc2c1C2

SAD-SAT-cefd50cc-1
0.424

View
Cc1nnc(CC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-5
0.422

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CC(C)(C#N)c1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-19
0.420

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Cc1ncc(CCc2cccc(NC(=O)Nc3cccnc3)c2)[nH]1

BAR-COM-21d20d65-5
0.419

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O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.418

View
Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1

MAK-UNK-129dcd6f-12
0.417

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O=C(Nc1cccnc1)Nc1ccccc1-c1cccc(=O)[nH]1

HUB-UNK-9845d277-3
0.417

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CC(C)c1ccc(C(N)=O)cc1NC(=O)Nc1cccnc1

IAN-BAS-df1706d7-1
0.414

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O=C(Nc1cccnc1)Nc1cccc(F)c1-c1cccc(=O)[nH]1

HUB-UNK-9845d277-14
0.413

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Cc1ccncc1NC(=O)c1ccccc1NC(=O)Nc1cccnc1

MAK-UNK-129dcd6f-4
0.413

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O=C(Nc1cccnc1)NC1CCCCC1

ALE-HEI-f28a35b5-8
0.413

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NC(=O)NC(=O)Cc1ccc(NC(=O)Nc2cccnc2)cc1

WIL-UNI-5578df48-15
0.412

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O=C(Nc1cccnc1)Nc1c[nH]c2ncccc12

TAM-UNI-c140e31a-19
0.412

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COc1c(NC(=O)Nc2cccnc2)cc(C(C)(C)C)cc1C(C)(C)C

SAD-SAT-689b7d5a-8
0.408

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Cc1c(NC(=O)Nc2cccnc2)ccc2ccc(S(N)(=O)=O)cc12

SAD-SAT-f25ee457-7
0.408

View
O=C(NC1=CC=CC[C@H]1C(=O)NC1=CC=CC1)Nc1cccnc1

CAS-DEP-e179b1f5-1
0.408

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O=C(Nc1cccnc1)Nc1ccccc1CS(=O)(=O)F

JIA-UNI-12b1f9ae-1
0.406

View
CNC(=O)c1ccccc1C(=O)c1ccccc1NC(=O)Nc1cccnc1

STE-LAU-aafa5dff-1
0.405

View
Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-129dcd6f-9
0.405

View
O=C(NCc1sccc1Cl)Nc1cccnc1

MAK-UNK-d1e89583-5
0.403

View
CC1(C)CC(NC(=O)Nc2cccnc2)CC(C)(C)O1

SAD-SAT-689b7d5a-9
0.403

View
CC(=O)Nc1cnccc1-c1ccc(NC(=O)Nc2cccnc2)cc1

MAK-UNK-129dcd6f-3
0.403

View
O=C(Nc1cccnc1)N(c1ccccc1)c1ccccc1

WIL-UNI-5578df48-2
0.400

View
O=C(Nc1cccnc1)NC1CCC(F)CC1

FRA-FAC-9ed5a63a-3
0.400

View
N=C(N)NCCc1ccc(NC(=O)Nc2cccnc2)cc1

WIL-UNI-5578df48-14
0.400

View
CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Nc1cccnc1

SAD-SAT-689b7d5a-5
0.397

View
O=C(Nc1cccnc1)Nc1cccc(C2C=CC(=O)O2)c1

WIL-UNI-5578df48-20
0.397

View
O=C(Nc1ccc(CNC(=O)C2CCC2)cc1)Nc1cccnc1

WIL-UNI-5578df48-17
0.397

View
O=C(NCc1cscc1Cl)Nc1cccnc1

MAK-UNK-d1e89583-3
0.397

View
CC(=O)Nc1cnccc1-c1ccccc1NC(=O)Nc1cccnc1

MAK-UNK-129dcd6f-5
0.392

View
CC(C)[C@H](O)CCc1ccccc1NC(=O)Nc1cccnc1

BAR-COM-5694a99d-4
0.392

View
Nn1c(Cc2ccc(NC(=O)Nc3cccnc3)cc2)n[nH]c1=O

WIL-UNI-5578df48-18
0.392

View
CCNc1ncc(C#N)cc1NC(=O)Nc1cccnc1

JOR-UNI-61e7b1d5-1
0.392

View
O=C(NCc1cc(Cl)cs1)Nc1cccnc1

MAK-UNK-d1e89583-9
0.391

View
NS(=O)(=O)c1ccc2ccc(NC(=O)Nc3cccnc3)cc2c1

SAD-SAT-f25ee457-8
0.389

View
NC(=O)NC(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-28
0.389

View
CC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3cccnc3)cc2)CC1

ALE-MCD-4ac17b19-1
0.387

View
CC(=O)NCCOc1ccccc1NC(=O)Nc1cccnc1

BAR-COM-5694a99d-2
0.387

View
CC(C)(O)COCc1ccccc1NC(=O)Nc1cccnc1

BAR-COM-5694a99d-3
0.387

View
CC(=O)Nc1cnccc1-c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-129dcd6f-2
0.387

View
CN(CCc1cccc(NC(=O)Nc2cccnc2)c1)C(N)=O

BAR-COM-21d20d65-8
0.387

View
N#Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1

MAK-UNK-10dfa458-31
0.387

View
O=C(Nc1cccnc1)Nc1cccc(CCC2(CO)CC2)c1

BAR-COM-21d20d65-4
0.387

View
O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)Nc1cccnc1

SAD-SAT-135344c3-6
0.387

View
NC(=O)[C@@H](F)CCc1cccc(NC(=O)Nc2cccnc2)c1

BAR-COM-21d20d65-9
0.387

View
CC(C)C(CNC(=O)Nc1cccnc1)Nc1ccccc1

SAD-SAT-689b7d5a-4
0.386

View
Cc1ccc(CCNS(C)(=O)=O)c(NC(=O)Nc2cccnc2)c1

WAR-XCH-6eb0722e-5
0.385

View
O=C(Nc1cccnc1)Nc1cccc(Cc2ccccc2O)c1

WIL-UNI-5578df48-26
0.384

View
O=C(NCc1ncccc1Cl)Nc1cccnc1

MAK-UNK-d1e89583-6
0.382

View
N#Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-14
0.382

View
O=C1CC(C(=O)Nc2cccnc2)CC(=O)N1

MAR-TRE-2fd8122f-27
0.381

View
Cn1cc(CC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-11
0.379

View
O=C(Cc1ccc(Cl)s1)Nc1cccnc1

DAR-DIA-842b4336-13
0.379

View
C=Cc1ccc(Nc2ccc(NC(=O)Nc3cccnc3)cc2)nc1

MAK-UNK-10dfa458-16
0.378

View
N#Cc1ccc(Nc2ccc(NC(=O)Nc3cccnc3)cc2)nc1

MAK-UNK-30aad1f1-12
0.378

View
O=C(CCCBr)Nc1cccnc1

ALE-HEI-f28a35b5-14
0.377

View
O=C(Nc1cccnc1)N[C@@H]1CC[C@H]2O[C@@H]2C1

FRA-FAC-9ed5a63a-4
0.377

View
CCC[C@](C)(O)CCc1cccc(NC(=O)Nc2cccnc2)c1

BAR-COM-21d20d65-6
0.377

View
N#Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-10dfa458-24
0.377

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

0.622

View
CC1=CC=C(NC(=O)NC2=CC=CN=C2)C=N1

0.545

View
CC1=CC=C(CNC(=O)NC2=CC=CN=C2)S1

0.541

View
CC(=O)NC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.537

View
CC1=CC(C)=CC(NC(=O)NC2=CC=CN=C2)=C1

0.536

View
CC1=CSC=C1NC(=O)NC1=CC=CN=C1

0.534

View
CC1=N[NH]C(NC(=O)NC2=CC=CN=C2)=C1C

0.534

View
CC1=CC=C(C(C)NC(=O)NC2=CC=CN=C2)S1

0.532

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

0.528

View
CC1=CC=C(C(=O)NC2=CC=CN=C2)S1

0.526

View
CC1=CN=CC(NC(=O)NC2=CC=CN=C2)=C1

0.526

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

0.519

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

0.519

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

0.518

View
CC1=CC(NC(=O)NC2=CC=CN=C2)=CC(C)=C1O

0.517

View
CC1=CSC(NC(=O)NC2=CC=CN=C2)=N1

0.517

View
CC1=N[NH]C=C1NC(=O)NC1=CC=CN=C1

0.517

View
COC1=CC(NC(=O)NC2=CC=CN=C2)=CC(OC)=C1C

0.517

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

0.509

View
CC1=CC=CC=C1NC(=O)NC1=CC=CN=C1

0.508

View
CC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1C

0.508

View
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.508

View
CC1=CC=CC(NC(=O)NC2=CC=CN=C2)=C1C

0.508

View
CC1=CC(NC(=O)NC2=CC=CN=C2)=C(C)C(C)=C1O

0.508

View
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NC2=CC=CN=C2)S1

0.500

View
CC1=CC(NC(=O)NC2=CC=CN=C2)=CC=N1

0.500

View
CC1=C(I)C=CC=C1NC(=O)NC1=CC=CN=C1

0.500

View
CC1=CC=C(CC(C)NC(=O)NC2=CC=CN=C2)S1

0.500

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

0.500

View
CC1=CON=C1NC(=O)NC1=CC=CN=C1

0.500

View
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=CN=C2)=C1

0.500

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

0.500

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

0.500

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

0.500

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

0.500

View
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.500

View
CN1C=C(NC(=O)NC2=CC=CN=C2)C=N1

0.500

View
CC1=C(C)OC(NC(=O)NC2=CC=CN=C2)=N1

0.500

View
CC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1Br

0.500

View
CC1=CC(F)=CC(NC(=O)NC2=CC=CN=C2)=C1

0.500

View
CC1=C(NC(=O)NC2=CC=CN=C2)C=NO1

0.500

View
CC1=CC(C(C)NC(=O)NC2=CC=CN=C2)=C(C)S1

0.492

View
CC1=CC=C(CC(=O)NC2=CC=CN=C2)S1

0.492

View
CC1=C(NC(=O)NC2=CC=CN=C2)C=NN1C

0.492

View
CC1=N[NH]C(NC(=O)NC2=CC=CN=C2)=C1

0.492

View
CC1=N[NH]C(C)=C1NC(=O)NC1=CC=CN=C1

0.492

View
CC1=CC(NC(=O)NC2=CC=CN=C2)=CC=C1O

0.492

View
COC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.492

View
CC(C)C1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.492

View
CCC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.492

View
CSC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.492

View
COC(=O)NC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.492

View
CCC(=O)NC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.492

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

0.491

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

0.491

View
CC1=CC=C(S(=O)(=O)NCCNC(=O)NC2=CC=CN=C2)S1

0.486

View
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CN=C2)S1

0.484

View
CC1=CN=C(CNC(=O)NC2=CC=CN=C2)S1

0.484

View
CC1=CN=C(C(C)NC(=O)NC2=CC=CN=C2)S1

0.484

View
CC1=CC=C(NC(=O)NC2=CC=CN=C2)C(C)=C1

0.484

View
CC1=CC=C(NC(=O)NC2=CC=CN=C2)C(C)=N1

0.484

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

0.483

View
CC1=CC=C(CN(C)C(=O)NC2=CC=CN=C2)S1

0.477

View
CC1=CN=C(C(C)(C)NC(=O)NC2=CC=CN=C2)S1

0.477

View
CSC1=CC=CC(NC(=O)NC2=CC=CN=C2)=C1C

0.477

View
CC1=CC=C(C)C(NC(=O)NC2=CC=CN=C2)=C1

0.476

View
CS(=O)(=O)NC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.475

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

0.475

View
CC1=CC=C(CCC(=O)NC2=CC=CN=C2)S1

0.469

View
CC1=CC=C(Br)C=C1NC(=O)NC1=CC=CN=C1

0.469

View
CC1=CC=C(I)C=C1NC(=O)NC1=CC=CN=C1

0.469

View
CC(C)(C)N1N=CC=C1NC(=O)NC1=CC=CN=C1

0.469

View
CC1=NN(C(C)C)C(C)=C1NC(=O)NC1=CC=CN=C1

0.469

View
CC1=CC(C(=O)NC2=CC=CN=C2)=C(C)S1

0.467

View
COC(=O)NNC(=O)NC1=CC=CN=C1

0.466

View
CC1=NC2=CC=C(NC(=O)NC3=CC=CN=C3)C=C2S1

0.464

View
CC1=NC2=CC(NC(=O)NC3=CC=CN=C3)=CC=C2S1

0.464

View
CC1=C(C)N(C2=CC=C(NC(=O)NC3=CC=CN=C3)C=C2)C=N1

0.463

View
CCN1N=C(C)C(NC(=O)NC2=CC=CN=C2)=C1C

0.462

View
COCC1=CC=C(NC(=O)NC2=CC=CN=C2)C=C1

0.460

View
CC1=CC=C(C(=O)NC2=CC=C(C(=O)NC3=CC=CN=C3)C=C2)S1

0.456

View
CC1=CC=C(CNC(=O)C(=O)NC2=CC=CN=C2)S1

0.455

View
CC1=CC=C(C(=O)NCC(=O)NC2=CC=CN=C2)S1

0.455

View
O=C(CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)NC1=CC=CN=C1

0.453

View
O=C(NC1=CC=C(NC2=CC=CC=C2)C=C1)NC1=CC=CN=C1

0.452

View
CC1=CC=C(CCCC(=O)NC2=CC=CN=C2)S1

0.448

View
CC1=CC=C(C(C)NC(=O)C(=O)NC2=CC=CN=C2)S1

0.448

View
CC1=CC=C(C(=O)OCC(=O)NC2=CC=CN=C2)S1

0.448

View
CC1=CC=C(CNC(=O)NCC(=O)NC2=CC=CN=C2)S1

0.443

View
CC1=CC=C(CC(=O)NCC(=O)NC2=CC=CN=C2)S1

0.441

View
CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CN=C2)S1

0.441

View
CC1=CC=C(CN(C)CC(=O)NC2=CC=CN=C2)S1

0.441

View
CC1=CC=C(CN(C)C(=O)C(=O)NC2=CC=CN=C2)S1

0.435

View
CC1=CC=NC(C2=CC=C(NC(=O)NC3=CC=CN=C3)C=C2)=N1

0.429

View
CC1=CC=C(S(=O)(=O)NC2=CC=C(NC(=O)NC3=CC=CN=C3)C=C2)C=C1

0.423

View
CC1=CC=C(C(=O)N2CCN(C(=O)NC3=CC=CN=C3)CC2)S1

0.423

View
CN(C(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)C1=CC=CN=C1

0.419

View
O=C(CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)S1)NC1=CC=CN=C1

0.418

View
CC1=CC=NC(C2=CC=CC(NC(=O)NC3=CC=CN=C3)=C2)=N1

0.405

View
CC1=CC=C(S(=O)(=O)NC2=CC=CN=C2)S1

0.403

View
Cc1ccc(NC(=O)Nc2cccnc2)s1

1.000

View


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