Details of the Drug

General Information of Drug (ID: DMKTMCH)

• Drug Name: AC1LDDOQ
• Synonyms: SMR000046381; AC1LDDOQ; MLS002583553; MLS000082533; SCHEMBL17225576; CHEMBL1583701; HMS2304B12; BDBM289593; ZINC4295838; US10092575, Example 81; STL226884; AKOS025272232; MCULE-1732953744; 6-(2-chlorobenzyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one; 6-(2-Chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one; 861645-11-6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 370.9
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H15ClN4OS
  IUPAC Name: 8-[(2-chlorophenyl)methyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,11(16)-tetraen-7-one
  Canonical SMILES: C1CCC2=C(C1)C3=C(S2)N(C(=O)N4C3=NC=N4)CC5=CC=CC=C5Cl
  InChI: InChI=1S/C18H15ClN4OS/c19-13-7-3-1-5-11(13)9-22-17-15(12-6-2-4-8-14(12)25-17)16-20-10-21-23(16)18(22)24/h1,3,5,7,10H,2,4,6,8-9H2
  InChIKey: CXMQSCNDPBVQEJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 665384
  TTD ID: D0NI7A

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.