zaprinast   Click here for help

GtoPdb Ligand ID: 2919

Synonyms: M&B-22948
Compound class: Synthetic organic
Comment: Zaprinast is a phosphodiesterase inhibitor. It failed as a clinical drug candidate.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.55
Molecular weight 271.11
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2
Isomeric SMILES CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2
InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
InChI Key REZGGXNDEMKIQB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one
International Nonproprietary Names Click here for help
INN number INN
5096 zaprinast
Synonyms Click here for help
M&B-22948
Database Links Click here for help
BindingDB Ligand 50020870
CAS Registry No. 37762-06-4 (source: Scifinder)
ChEMBL Ligand CHEMBL28079
GtoPdb PubChem SID 135651355
PubChem CID 5722
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Wikipedia Zaprinast

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Tocris
Zaprinast
Cat. No. 0947