Details of the Drug

General Information of Drug (ID: DMJVITG)

Drug Name
1-phenyl-3-(2-(pyridin-4-yl)thiazol-4-yl)urea
Synonyms acyclic urea, 1; CHEMBL392228; BDBM20816
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) 296.3
Topological Polar Surface Area (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H12N4OS
IUPAC Name
1-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
Canonical SMILES
C1=CC=C(C=C1)NC(=O)NC2=CSC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C15H12N4OS/c20-15(17-12-4-2-1-3-5-12)19-13-10-21-14(18-13)11-6-8-16-9-7-11/h1-10H,(H2,17,19,20)
InChIKey
AXDWPTZOIRLDDO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24768279
TTD ID
D0YE4B

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 Structure-activity relationships of 3,4-dihydro-1H-quinazolin-2-one derivatives as potential CDK5 inhibitors. Bioorg Med Chem. 2007 Oct 15;15(20):6574-95.
2 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Bioorg Med Chem Lett. 2004 Jan 19;14(2):413-6.
3 Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
4 Pharmacological inhibitors of cyclin-dependent kinases. Trends Pharmacol Sci. 2002 Sep;23(9):417-25.