pinacidil   Click here for help

GtoPdb Ligand ID: 2412

Synonyms: pinacidil hydrate | Pindac®
Approved drug
pinacidil is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Pinacidil is a cyanoguanidine anti-hypertensive drug, which acts as an ATP-sensitive potassium channel opener in smooth muscle cells.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.1
Molecular weight 245.16
XLogP 2.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C(C)(C)C)N=C(Nc1ccncc1)NC#N
Isomeric SMILES CC(C(C)(C)C)N=C(Nc1ccncc1)NC#N
InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
InChI Key IVVNZDGDKPTYHK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
IUPAC Name Click here for help
3-cyano-2-(3,3-dimethylbutan-2-yl)-1-pyridin-4-ylguanidine
International Nonproprietary Names Click here for help
INN number INN
5013 pinacidil
Synonyms Click here for help
pinacidil hydrate | Pindac®
Database Links Click here for help
BindingDB Ligand 50240750
CAS Registry No. 60560-33-0 (source: Scifinder)
ChEBI CHEBI:287515
ChEMBL Ligand CHEMBL1159
DrugCentral Ligand 2173
GtoPdb PubChem SID 135650826
PubChem CID 4826
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UniChem Compound Search for chemical match using the InChIKey IVVNZDGDKPTYHK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IVVNZDGDKPTYHK-UHFFFAOYSA-N
Wikipedia Pinacidil