General Information of Drug (ID: DMLJV01)

Drug Name
US10034861, Example 1
Synonyms SCHEMBL19762512; US10034861, Example 1; BDBM278971; 5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[4,3-b]pyridin-7-amine
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 407.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H25N7O2
IUPAC Name
5-(2-ethoxypyridin-3-yl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
Canonical SMILES
CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)NCC4=NN=C(O4)C)N(N=C3C)C(C)C
InChI
InChI=1S/C21H25N7O2/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-26-25-14(5)30-18)20-19(24-16)13(4)27-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
InChIKey
XEBJMVLHZBRKST-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132273299
TTD ID
D0V8ZY

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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