Details of the Drug

General Information of Drug (ID: DM7MNE2)

• Drug Name: US10092575, Example 158
• Synonyms: CHEMBL4074038; SCHEMBL17225654; BDBM289669; US10092575, Example 158; 6-(4-Chlorobenzyl)-9-(cyclopropanecarbonyl)-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); 439.9
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H18ClN5O2S
  IUPAC Name: 8-[(4-chlorophenyl)methyl]-13-(cyclopropanecarbonyl)-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: C1CC1C(=O)N2CCC3=C(C2)SC4=C3C5=NC=NN5C(=O)N4CC6=CC=C(C=C6)Cl
  InChI: InChI=1S/C21H18ClN5O2S/c22-14-5-1-12(2-6-14)9-26-20-17(18-23-11-24-27(18)21(26)29)15-7-8-25(10-16(15)30-20)19(28)13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2
  InChIKey: FYTZTJBBBNSPSE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118485649
  TTD ID: D0J1LK

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.