Details of the Drug

General Information of Drug (ID: DMQC9WV)

Drug Name
3-(2-phenylthiazol-4-yl)quinolin-2(1H)-one
Synonyms SCHEMBL5463666; CHEMBL240264; BDBM20859; quinolin-2(1H)-one derivative, 17a
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) 304.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H12N2OS
IUPAC Name
3-(2-phenyl-1,3-thiazol-4-yl)-1H-quinolin-2-one
Canonical SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=CC=CC=C4NC3=O
InChI
InChI=1S/C18H12N2OS/c21-17-14(10-13-8-4-5-9-15(13)19-17)16-11-22-18(20-16)12-6-2-1-3-7-12/h1-11H,(H,19,21)
InChIKey
OANBFUCSFFQVAU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
22638512
TTD ID
D04AEG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase 5 (CDK5) TTL4Q97 CDK5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and synthesis of quinolin-2(1H)-one derivatives as potent CDK5 inhibitors. Bioorg Med Chem Lett. 2007 Oct 1;17(19):5384-9.