Details of the Drug

General Information of Drug (ID: DMU8CAD)

• Drug Name: US10092575, Example 101
• Synonyms: SCHEMBL17225595; CHEMBL4068450; AXPVGJNPJSMCLA-UHFFFAOYSA-N; BDBM289613; US10092575, Example 101; 6-(4-Chlorobenzyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one; 6-(4-Chlorobenzyl)-9-methyl-8,9,10,11-tetrahydropyrido[4'',3'':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 385.9
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H16ClN5OS
  IUPAC Name: 8-[(4-chlorophenyl)methyl]-13-methyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,11(16)-tetraen-7-one
  Canonical SMILES: CN1CCC2=C(C1)SC3=C2C4=NC=NN4C(=O)N3CC5=CC=C(C=C5)Cl
  InChI: InChI=1S/C18H16ClN5OS/c1-22-7-6-13-14(9-22)26-17-15(13)16-20-10-21-24(16)18(25)23(17)8-11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3
  InChIKey: AXPVGJNPJSMCLA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118485599
  TTD ID: D03GTM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 1B (PDE1B)	TT3ZS42	PDE1B_HUMAN	Inhibitor	[1]

References

• [1] Substituted thiophene- and furan-fused azolopyrimidine-5-(6H)-one compounds. US10092575.