Details of the Drug

General Information of Drug (ID: DMUFVM6)

Drug Name
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
Synonyms N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide; Kinome_3019; CHEMBL210032; SCHEMBL1145340; BDBM15968; Aminopyridine-Based Inhibitor 24
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 252.27
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H12N4O
IUPAC Name
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
Canonical SMILES
CC(=O)NC1=NC(=C(C(=C1)N)C#N)C2=CC=CC=C2
InChI
InChI=1S/C14H12N4O/c1-9(19)17-13-7-12(16)11(8-15)14(18-13)10-5-3-2-4-6-10/h2-7H,1H3,(H3,16,17,18,19)
InChIKey
GTMGQYXCPKUZAD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11658882
TTD ID
D0S7IE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [1]
IKKA messenger RNA (IKKA mRNA) TT1F8OQ IKKA_HUMAN Inhibitor [1]
JNK2 messenger RNA (JNK2 mRNA) TT3IVG2 MK09_HUMAN Inhibitor [1]
Stress-activated protein kinase JNK1 (JNK1) TT0K6EO MK08_HUMAN Inhibitor [1]
Stress-activated protein kinase JNK3 (JNK3) TT056SO MK10_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. J Med Chem. 2006 Jun 15;49(12):3563-80.