Details of the Drug

General Information of Drug (ID: DM29KS1)

• Drug Name: US8592431, 181
• Synonyms: SCHEMBL1371832; CHEMBL3648562; QMZXPLFRIAZTAV-UHFFFAOYSA-N; BDBM107374; US8592431, 181; 7-propyl-4-(2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-8-yl)-6-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 608.7
  Logarithm of the Partition Coefficient (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C34H40N8O3
  IUPAC Name: 7-propyl-4-(2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]decan-8-yl)-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
  Canonical SMILES: CCCC1=C(C(=O)N(C2=NC=NN12)C3CCC4(CC3)OC(C(O4)(C)C)(C)C)CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7
  InChI: InChI=1S/C34H40N8O3/c1-6-9-28-27(20-22-12-14-23(15-13-22)25-10-7-8-11-26(25)29-37-39-40-38-29)30(43)41(31-35-21-36-42(28)31)24-16-18-34(19-17-24)44-32(2,3)33(4,5)45-34/h7-8,10-15,21,24H,6,9,16-20H2,1-5H3,(H,37,38,39,40)
  InChIKey: QMZXPLFRIAZTAV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59437703
  TTD ID: D0TI5Y

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetyl-CoA transporter (SLC33A1)	TTLJKZ0	ACATN_HUMAN	Inhibitor	[1]

References

• [1] Fused ring compound and use thereof. US8592431.