Details of the Drug

General Information of Drug (ID: DMD8FS5)

• Drug Name: US10034861, Example 165
• Synonyms: SCHEMBL19762492; BDBM279134; US10034861, Example 165; N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-pyrazolo[4,3-b]pyridin-7-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 561.6
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C30H33F2N7O2
  IUPAC Name: N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-5-(2-ethoxypyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
  Canonical SMILES: CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)N(CC4=CC=C(C=C4)OC)CC5=CN(N=C5)C(F)F)N(N=C3C)C(C)C
  InChI: InChI=1S/C30H33F2N7O2/c1-6-41-29-24(8-7-13-33-29)25-14-26(28-27(35-25)20(4)36-39(28)19(2)3)37(16-21-9-11-23(40-5)12-10-21)17-22-15-34-38(18-22)30(31)32/h7-15,18-19,30H,6,16-17H2,1-5H3
  InChIKey: UXTFTMXAFOTATJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 132273284
  TTD ID: D00LVD

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] 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors. US10034861.