PINACIDIL

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Mixture
ATC C02DG01
UNII 7B0ZZH8P2W
EPA CompTox DTXSID4045682

Structure

InChI Key IVVNZDGDKPTYHK-UHFFFAOYSA-N
Smiles CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19N5
Molecular Weight 245.33
AlogP 2.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 73.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 2, Kir6.2 opener OPENER PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Inwardly rectifying potassium channel
- - - 320 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 90.66-96.43
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- - - 320 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - 320 -
Cricetulus griseus
- - - - 90.66-96.43
Oryctolagus cuniculus
- - - - 32.18
Rattus norvegicus
350-724.44 59.6-800 - - -

Target Conservation

Protein: Sulfonylurea receptor 2, Kir6.2
Description: ATP-binding cassette sub-family C member 9
Organism : Homo sapiens
O60706 ENSG00000069431
Protein: Sulfonylurea receptor 2, Kir6.2
Description: ATP-sensitive inward rectifier potassium channel 11
Organism : Homo sapiens
Q14654 ENSG00000187486

Cross References

Resources Reference
ChEBI 34923
ChEMBL CHEMBL1200338
FDA SRS 7B0ZZH8P2W
Guide to Pharmacology 2412
KEGG C13729
PubChem 55329
SureChEMBL SCHEMBL65786
ZINC ZINC18189761
ChEBI 91706
ChEMBL CHEMBL1159
DrugBank DB06762
DrugCentral 2173
FDA SRS BB4UGO5K0D
Guide to Pharmacology 2412
PubChem 55329
SureChEMBL SCHEMBL65787
ZINC ZINC18189761
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