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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201753
CHEMBL1201753
Compound Name PITAVASTATIN
ChEMBL Synonyms NIKITA | PITAVASTATIN | ITAVASTATIN | PITAVASTATIN MAGNESIUM | LIVALO | PITAVASTATIN SODIUM | Pitavastatin calcium | ZYPITAMAG
Max Phase 4 (Approved)
Trade Names PITAVASTATIN CALCIUM | NIKITA | LIVALO | ZYPITAMAG
Molecular Formula C25H24FNO4

Additional synonyms for CHEMBL1201753 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O) ...
Download SMILES
Standard InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(2 ...
Download InChI
Standard InChI Key VGYFMXBACGZSIL-MCBHFWOFSA-N

Sources

  • AstraZeneca Deposited Data
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201753

Molecule Features

CHEMBL1201753 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
HMG-CoA reductase inhibitor HMG-CoA reductase FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus3ClinicalTrials
DyslipidemiasD050171HP:0003119Abnormality of lipid metabolism4FDA
FDA
DailyMed
Metabolic SyndromeD024821EFO:0000195metabolic syndrome1ClinicalTrials
HyperlipidemiasD006949EFO:0003774hyperlipidemia4FDA
FDA
DailyMed
ClinicalTrials
Influenza, HumanD007251EFO:0001669influenza infection1ClinicalTrials
HypercholesterolemiaD006937HP:0003124hypercholesterolemia1ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Renal InsufficiencyD0514371ClinicalTrials

Clinical Data

ClinicalTrials.gov PITAVASTATIN
The Cochrane Collaboration PITAVASTATIN

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 CHEMBL1201753. 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
CHEMBL402 HMG-CoA reductase Homo sapiens 1.000
CHEMBL3247 HMG-CoA reductase Rattus norvegicus 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3247 HMG-CoA reductase Rattus norvegicus 1.000
CHEMBL402 HMG-CoA reductase Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
421.5 421.1689 4.52 8 90.65 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 4.68 1.92 -1.2 3 31 0.5

Structural Alerts

There are 1 structural alerts for CHEMBL1201753. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AA - HMG CoA reductase inhibitors
C10AA08 - pitavastatin

ChemSpider ChemSpider:VGYFMXBACGZSIL-MCBHFWOFSA-N
DailyMed pitavastatin calcium pitavastatin magnesium
Wikipedia Pitavastatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201753



ACToR 147511-69-1
BindingDB 86707
ChEBI 32020
ChemicalBook CB6206668
DrugBank DB08860
DrugCentral 2214
eMolecules 32452448
EPA CompTox Dashboard DTXSID1048384
FDA SRS M5681Q5F9P
Guide to Pharmacology 3035
Human Metabolome Database HMDB0041991
IBM Patent System D46E0BC2A60B739FA0DD622D34B3A805
LINCS LSM-45806
MolPort MolPort-009-198-778
Nikkaji J640.860E J1.195.500B
PubChem 5282452
PubChem: Thomson Pharma 14807037 14831666
SureChEMBL SCHEMBL3369
ZINC ZINC000001534965

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