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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200338
CHEMBL1200338
Compound Name PINACIDIL HYDRATE
ChEMBL Synonyms Pinacidil hydrate | PINACIDIL | PINDAC
Max Phase 4 (Approved)
Trade Names PINDAC
Molecular Formula C13H21N5O

Additional synonyms for CHEMBL1200338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.CC(N\C(=N/C#N)\Nc1ccncc1)C(C)(C)C
Standard InChI InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7 ...
Download InChI
Standard InChI Key AFJCNBBHEVLGCZ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200338

Molecule Features

CHEMBL1200338 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 HYDRATE
The Cochrane Collaboration PINACIDIL HYDRATE

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 CHEMBL1200338. 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 CHEMBL1200338. 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:AFJCNBBHEVLGCZ-UHFFFAOYSA-N
PubChem SID: 144204505 SID: 170465261 SID: 56462991
Wikipedia Pinacidil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200338



ACToR 85371-64-8
ChEBI 34923
eMolecules 26751667
EPA CompTox Dashboard DTXSID4045682
KEGG Ligand C13729
MolPort MolPort-027-894-195 MolPort-023-220-356
NIH Clinical Collection SAM001246907
PubChem 55329
PubChem: Drugs of the Future 12012652
SureChEMBL SCHEMBL65786

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