Details of the Drug

General Information of Drug (ID: DMZ1RMA)

• Drug Name: US9156852, 105
• Synonyms: SCHEMBL15066797; CHEMBL3915720; BDBM185590; US9156852, 105
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 478.9
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C23H16ClFN6OS
  IUPAC Name: 4-amino-N-[1-(3-chloro-4-fluoroanilino)-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)F)Cl)NC(=O)C4=CSC5=C4N=CN=C5N
  InChI: InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
  InChIKey: GNDBDDNLWIOKDN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71622865
  TTD ID: D0T8BO

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.