Details of the Drug

General Information of Drug (ID: DMT47DF)

• Drug Name: US10092575, Example 141
• Synonyms: CHEMBL4067682; SCHEMBL17225636; BDBM289653; US10092575, Example 141; 6-(2-fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)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-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)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); 483.6
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C24H26FN5O3S
  IUPAC Name: 8-[(2-fluoro-4-methoxyphenyl)methyl]-13-(oxan-4-ylmethyl)-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: COC1=CC(=C(C=C1)CN2C3=C(C4=C(S3)CN(CC4)CC5CCOCC5)C6=NC=NN6C2=O)F
  InChI: InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3
  InChIKey: FOZFBBKUKXGMND-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72706254
  TTD ID: D0WS3T

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] Therapeutic thiophene-, furan-, and pyridine-fused azolopyrimidin-5-(6h)-ones. US10105367.