Details of the Drug

General Information of Drug (ID: DMT6HXB)

• Drug Name: US9156852, 1
• Synonyms: CHEMBL3969260; SCHEMBL15066998; BDBM185584; US9156852, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 460.9
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H17ClN6OS
  IUPAC Name: 4-amino-N-[1-(4-chloroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
  Canonical SMILES: CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC(=O)C4=CSC5=C4N=CN=C5N
  InChI: InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
  InChIKey: FHPTWZJZWOYCKG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71622578
  TTD ID: D0CI3N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Discoidin domain-containing receptor 2 (DDR2)	TTU98HG	DDR2_HUMAN	Inhibitor	[1]

References

• [1] Thieno[3,2-D]pyrimidine derivatives having inhibitory activity for protein kinases. US9156852.