Molecule Details

Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1
3-aminopyridine-like Mcule Assayed
Molecular Properties
SMILES:
Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1
MW: 230.12
Fraction sp3: 0.25
HBA: 3
HBD: 2
Rotatable Bonds: 3
TPSA: 70.67
cLogP: 1.6
Covalent Warhead:
Covalent Fragment:
Source
Mcule: MCULE-9469408985
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -4.283793
Average Inhibition @ 50 µM - Fluorescence: 0.40377305
Average Inhibition @ 50 µM - RapidFire: 4.87090103356108
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-01
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

View
O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9

View

Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.564

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.541

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.541

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.530

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.523

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.523

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.523

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.516

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.516

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.515

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.515

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.515

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.515

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.508

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.508

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

PET-SGC-6e7c5dc0-1
0.508

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.507

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.500

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.500

View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.493

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

DAR-DIA-0cde14eb-78
0.493

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.493

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.493

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

GAB-REV-70cc3ca5-20
0.493

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.486

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

JAN-GHE-83b26c96-14
0.486

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

ANN-UNI-98d2bf15-2
0.486

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

ALP-POS-95b75b4d-3
0.486

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

TRY-UNI-2eddb1ff-1
0.486

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

DAR-DIA-0cde14eb-76
0.486

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.484

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

MAT-POS-590ac91e-11
0.484

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.481

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.481

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

EDJ-MED-e58735b6-4
0.480

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

TRY-UNI-714a760b-20
0.479

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

BEN-DND-93268d01-8
0.478

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.473

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

MAT-POS-c9973a83-1
0.472

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

EDJ-MED-e58735b6-3
0.472

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

RAL-THA-6b94ceba-6
0.472

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

DAR-DIA-0cde14eb-79
0.472

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.470

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

GAB-REV-70cc3ca5-21
0.470

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.470

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.470

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.470

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

RAL-THA-6b94ceba-11
0.468

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

RAL-THA-6b94ceba-14
0.467

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

RAL-THA-6b94ceba-16
0.467

View
Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.467

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

DAR-DIA-0cde14eb-64
0.466

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

DAR-DIA-0cde14eb-61
0.466

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

DAR-DIA-0cde14eb-1
0.466

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

ANN-UNI-98d2bf15-5
0.466

View
Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.463

View
Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.463

View
Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.463

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

DAR-DIA-0cde14eb-74
0.461

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

RAL-THA-6b94ceba-13
0.459

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

RAL-THA-6b94ceba-7
0.459

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

DAR-DIA-0cde14eb-62
0.459

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.459

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

DAR-DIA-0cde14eb-2
0.459

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

DAR-DIA-0cde14eb-63
0.459

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

GAB-REV-70cc3ca5-13
0.457

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

RAL-THA-6b94ceba-9
0.455

View
Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.455

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.455

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

RAL-THA-6b94ceba-5
0.453

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

DAR-DIA-0cde14eb-3
0.453

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

RAL-THA-6b94ceba-15
0.453

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

DAR-DIA-0cde14eb-77
0.453

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

DAR-DIA-0cde14eb-4
0.453

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

BEN-DND-6de5dfa0-1
0.451

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.451

View
Cc1ccncc1NC(=O)CCNc1ccc2[nH]ncc2c1

GAB-REV-70cc3ca5-12
0.449

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

MAT-POS-e501d84c-1
0.449

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.448

View
Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.448

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

RAL-THA-6b94ceba-12
0.447

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

WIL-MOD-03b86a88-5
0.447

View
Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.447

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

GAB-REV-70cc3ca5-15
0.447

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

WIL-MOD-03b86a88-3
0.447

View
CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

PET-SGC-175e168c-1
0.447

View
CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

TRY-UNI-1fd04853-1
0.447

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2ccn[nH]2)c1

RAL-THA-6b94ceba-4
0.446

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

BEN-DND-6de5dfa0-16
0.444

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.444

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

BEN-DND-6de5dfa0-7
0.444

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

BRU-LEF-c49414a7-1
0.443

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

RAL-THA-901e9a10-7
0.443

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.443

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

MAK-UNK-372b0df5-3
0.443

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

RAL-THA-6b94ceba-8
0.442

View
Cc1ccncc1NC(=O)CCc1cc(S(N)(=O)=O)ccc1Br

PET-SGC-83d43576-1
0.442

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

WIL-MOD-03b86a88-6
0.442

View
Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.441

View
C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.441

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

0.711

View
Cc1ccncc1NC(=O)Cc1ccn[nH]1

0.682

View
Cc1cc(CNC(=O)C(=O)Nc2cnccc2C)[nH]n1

0.681

View
Cc1cc(CC(=O)NNC(=O)Cc2cnccc2C)[nH]n1

0.674

View
Cc1cc(CC(=O)Nc2cnccc2C)n[nH]1

0.652

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

0.643

View
Cc1cc(CC(=O)NNC(=O)Cc2ccncc2C)[nH]n1

0.638

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

0.636

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

0.636

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.628

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

0.622

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

0.622

View
CC(=NNC(=O)Cc1cc(C)n[nH]1)c1cnccc1C

0.620

View
Cc1ccncc1NC(=O)Cc1c(C)n[nH]c1C

0.617

View
Cc1cc(CC(=O)Nc2cnccc2C)on1

0.617

View
Cc1n[nH]c(CC(=O)Nc2cnccc2C)n1

0.617

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.614

View
Cc1cc(CNc2cnccc2C)[nH]n1

0.614

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.609

View
Cc1cc(NC(=O)C(=O)Nc2cnccc2C)[nH]n1

0.609

View
Cc1ccncc1NC(=O)CN(C)C

0.605

View
Cc1cc(CC(=O)Nc2cnccc2C)n(C)n1

0.604

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.600

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.600

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.600

View
Cc1ccc(C)c(CC(=O)Nc2cnccc2C)c1

0.596

View
Cc1ccc(CC(=O)Nc2cnccc2C)cn1

0.596

View
Cc1cncc(CC(=O)Nc2cnccc2C)c1

0.596

View
Cc1ccncc1NC(=O)CN

0.595

View
Cc1ccncc1NC(=O)CCl

0.595

View
Cc1cc(CNC(=O)Cc2cnccc2C)[nH]n1

0.592

View
Cc1ccncc1NC(=O)CCN

0.591

View
CC(=NNC(=O)Cc1cc(C)n[nH]1)c1ccncc1C

0.588

View
Cc1ccccc1CC(=O)Nc1cnccc1C

0.587

View
Cc1ccncc1NC(=O)Cc1ccc(O)cc1

0.587

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.587

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.587

View
Cc1ccncc1NC(=O)Cc1cnccc1Cl

0.587

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.583

View
Cc1ccncc1NC(=O)Cc1cc(F)c(F)cc1F

0.583

View
Cc1ccncc1NC(=O)Cc1cncc(O)c1

0.583

View
Cc1ccncc1NC(=O)Cc1c(C)cc(N(C)C)cc1C

0.583

View
Cc1cc(NC(=O)Cc2cnccc2C)[nH]n1

0.583

View
Cc1ccncc1NC(=O)CCCCC(=O)Nc1cnccc1C

0.581

View
Cc1ccncc1NC(=O)CO

0.581

View
Cc1ccncc1NC(=O)CCCC(=O)Nc1cnccc1C

0.581

View
COCC(=O)Nc1cnccc1C

0.581

View
CCN(CC)CC(=O)Nc1cnccc1C

0.578

View
Cc1ccncc1NC(=O)CC(O)CC(=O)Nc1cnccc1C

0.578

View
Cc1ccncc1NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1

0.577

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.574

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.574

View
Cc1ccncc1NC(=O)Cc1ccc(Br)cc1

0.574

View
Cc1cc(C)nc(SCC(=O)Nc2cnccc2C)n1

0.574

View
Cc1ccncc1NC(=O)Cc1ccc(I)cc1

0.574

View
Cc1ccncc1NC(=O)Cc1ncc[nH]1

0.574

View
Cc1ccncc1NC(=O)Cc1ccc(CN)cc1

0.574

View
Cc1cc(CC(=O)NN=CCCc2cnccc2C)[nH]n1

0.574

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

0.571

View
Cc1ccncc1NC(=O)Cc1c(C)nn(C)c1C

0.571

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

0.571

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.571

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

0.571

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.571

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.571

View
Cc1cc(CC(=O)Nc2cnccc2C)no1

0.571

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1O

0.571

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

0.571

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1Br

0.571

View
Cc1cc(Br)ccc1CC(=O)Nc1cnccc1C

0.571

View
Cc1cc(C(=O)NNC(=O)Nc2cnccc2C)[nH]n1

0.571

View
Cc1cc(CNC(=O)Nc2ccncc2C)[nH]n1

0.571

View
Cc1ccncc1NC(=O)Cc1n[nH]c2ccccc12

0.569

View
CCc1n[nH]c(CC)c1CC(=O)Nc1cnccc1C

0.569

View
Cc1ccncc1NC(=O)CCCCCC(=O)Nc1cnccc1C

0.568

View
Cc1ccncc1NC(=O)CCCCCCC(=O)Nc1cnccc1C

0.568

View
Cc1ccncc1NC(=O)CSCC(=O)Nc1cnccc1C

0.568

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

0.568

View
Cc1ccncc1NC(=O)CCCCCCCC(=O)Nc1cnccc1C

0.568

View
CNCC(=O)Nc1cnccc1C

0.568

View
Cc1ccncc1NC(=O)CCC(C)(C)C

0.565

View
Cc1ccncc1NC(=O)CCCN

0.565

View
Cc1ccncc1NC(=O)Cc1cccs1

0.562

View
Cc1ccncc1NC(=O)Cc1ccsc1

0.562

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.562

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.562

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

0.562

View
Cc1ccc(CC(=O)Nc2cnccc2C)s1

0.562

View
CCCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.562

View
Cc1ccncc1NC(=O)Cc1ccco1

0.562

View
Cc1ccncc1NC(=O)Cc1cncs1

0.562

View
CCc1ccccc1CC(=O)Nc1cnccc1C

0.562

View
Cc1ccncc1NC(=O)Cc1cncn1C

0.562

View
Cc1ccc(CC(=O)Nc2cnccc2C)o1

0.562

View
Cc1ccncc1NC(=O)Cc1ccnn1C

0.562

View
Cc1ccncc1NC(=O)Cc1ccn(C)n1

0.562

View
Cc1ccncc1NC(=O)Cc1ccccc1CO

0.562

View
CC(=NNC(=O)Cc1cc(C)n[nH]1)c1ccncc1

0.560

View
Cc1cc(CC(=O)NN=Cc2ccncc2)[nH]n1

0.560

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1Cl

0.560

View

C(NC1=C(C)C=CN=C1)(=O)CC1=NN(C)C=C1

0.848

View
C(NC1=CN=CC(Cl)=C1C)(=O)CC1=NN(C)C=C1

0.773

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

0.742

View
C(NC1=C(C)C=C(C)N=C1Cl)(=O)CC1=NN(C)C=C1

0.728

View
C(NC1C(C)=C(C)C(C)=NC=1)(=O)CC1=NN(C)C=C1

0.727

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