ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1159
CHEMBL1159
Compound Name PINACIDIL
ChEMBL Synonyms PINACIDIL | PINDAC | Pinacidil hydrate
Max Phase 4 (Approved)
Trade Names PINDAC
Molecular Formula C13H19N5

Additional synonyms for CHEMBL1159 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N\C(=N/C#N)\Nc1ccncc1)C(C)(C)C
Standard InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15- ...
Download InChI
Standard InChI Key IVVNZDGDKPTYHK-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1159

Molecule Features

CHEMBL1159 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sulfonylurea receptor 2, Kir6.2 opener Sulfonylurea receptor 2, Kir6.2 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HYPERTENSIOND006973EFO:0000537HYPERTENSION4ATC

Clinical Data

ClinicalTrials.gov PINACIDIL
The Cochrane Collaboration PINACIDIL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1159. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2496 P2X purinoceptor 7 Rattus norvegicus 1.000
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 0.953
CHEMBL1744525 Nicotinamide phosphoribosyltransferase Homo sapiens 0.629
CHEMBL3359 Formyl peptide receptor 1 Homo sapiens 0.602
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.229
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.217
CHEMBL3231 Rho-associated protein kinase 1 Homo sapiens 0.213



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2496 P2X purinoceptor 7 Rattus norvegicus 1.000
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 0.872
CHEMBL1744525 Nicotinamide phosphoribosyltransferase Homo sapiens 0.402

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
245.3 245.164 1.83 5 73.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.3 2.21 2.2 1 18 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL1159. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02D - ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
C02DG - Guanidine derivatives
C02DG01 - pinacidil

ChemSpider ChemSpider:IVVNZDGDKPTYHK-UHFFFAOYSA-N
PubChem SID: 11532877 SID: 124881033 SID: 26749106 SID: 26752206 SID: 50104869 SID: 56463565 SID: 90341497
Wikipedia Pinacidil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1159



ACToR 113563-69-2 60560-33-0
BindingDB 50240750 86245
ChEBI 91706
DrugCentral 2173
eMolecules 593251 25691936
EPA CompTox Dashboard DTXSID7048249
Guide to Pharmacology 2412
IBM Patent System F9A37D284D54111155DBC6910F4D15FE
LINCS LSM-1557
Mcule MCULE-2402591602
MolPort MolPort-003-666-777
Nikkaji J22.057D
PubChem 4826
PubChem: Thomson Pharma 15196571 14892701
SureChEMBL SCHEMBL65787

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IVVNZDGDKPTYHK-UHFFFAOYSA-N spacer
spacer