Details of the Drug

General Information of Drug (ID: DM1K5T0)

• Drug Name: US9156852, 83
• Synonyms: SCHEMBL15067512; CHEMBL3944137; BDBM185589; US9156852, 83
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 468.5
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C25H20N6O2S
  IUPAC Name: N-[1-(4-acetylanilino)-6-methylisoquinolin-5-yl]-4-aminothieno[3,2-d]pyrimidine-7-carboxamide
  Canonical SMILES: CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)C(=O)C)NC(=O)C4=CSC5=C4N=CN=C5N
  InChI: InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)
  InChIKey: VDPIYNSZQSYYGQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71622312
  TTD ID: D0BW9L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epithelial discoidin domain receptor 1 (DDR1)	TTI1FPZ	DDR1_HUMAN	Inhibitor	[1]

References

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