Details of the Drug

General Information of Drug (ID: DMFSJQC)

Drug Name
PMID24793884C74
Synonyms GTPL8219; BDBM50016163
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 366.2
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H9Cl2N5OS
IUPAC Name
2-(2-aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide
Canonical SMILES
C1=CC(=C(C=C1Cl)Cl)C2=C(SC(=N2)C3=NC(=NC=C3)N)C(=O)N
InChI
InChI=1S/C14H9Cl2N5OS/c15-6-1-2-7(8(16)5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)
InChIKey
CQNCHLJHIGRPDA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
76072859
ChEBI ID
CHEMBL3261514
TTD ID
D0RJ8J
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
CDC7-related kinase (CDC7) TTSMTDI CDC7_HUMAN Inhibitor [1]
Oxidative stress responsive 1 (OXSR1) TT7ZY03 OXSR1_HUMAN Inhibitor [1]
Yet another novel kinase 2 (STK32B) TT4D2GZ ST32B_HUMAN Inhibitor [1]
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References

1 Synthesis and structure-activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors. Eur J Med Chem. 2014 Jun 10;80:364-82.