Details of the Drug

General Information of Drug (ID: DM9QCTJ)

• Drug Name: US10065972, Example 560
• Synonyms: SCHEMBL18336240; BDBM273119; BDBM273144; BDBM273143; BDBM273093; BDBM273070; US10065972, Example 560; US10065972, Example 265; US10065972, Example 559; US10065972, Example 178; US10065972, Example 347; N-[dideuterio(phenyl)methyl]-1-[7-oxo-5-phenyl-6-(trideuteriomethyl)-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide; (R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide; (R)-N-benzyl-1-[6-methyl-7-oxo-5-(2,3,4,5,6-pentadeuteriophenyl)-6,7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 445.5
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H23N5O2S
  IUPAC Name: (2R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
  Canonical SMILES: CN1C(=NC2=C(C1=O)N=C(S2)N3CCC[C@@H]3C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5
  InChI: InChI=1S/C24H23N5O2S/c1-28-20(17-11-6-3-7-12-17)27-22-19(23(28)31)26-24(32-22)29-14-8-13-18(29)21(30)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3,(H,25,30)/t18-/m1/s1
  InChIKey: LYGQOCVESZDBMV-GOSISDBHSA-N
• Cross-matching ID:
  PubChem CID: 92045015
  TTD ID: D03DSN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kynurenine oxoglutarate transaminase II (AADAT)	TTT3IXG	AADAT_HUMAN	Inhibitor	[1]

References

• [1] Bicyclic or tricyclic heterocyclic compound. US10065972.