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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5096 zaprinast
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Database Links Click here for help
Specialist databases
GPCRdb Ligand zaprinast
Other databases
BindingDB Ligand 50020870
CAS Registry No. 37762-06-4 (source: Scifinder)
ChEMBL Ligand CHEMBL28079
GtoPdb PubChem SID 135651355
PubChem CID 135399235
Search Google for chemical match using the InChIKey REZGGXNDEMKIQB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone REZGGXNDEMKIQB
Search PubMed clinical trials zaprinast
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UniChem Compound Search for chemical match using the InChIKey REZGGXNDEMKIQB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey REZGGXNDEMKIQB-UHFFFAOYSA-N
Wikipedia Zaprinast

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Zaprinast (links to external site)
Cat. No. 0947