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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1516
CHEMBL1516
Compound Name OLMESARTAN
ChEMBL Synonyms OLMESARTAN | RNH-6270
Max Phase 3
Trade Names
Molecular Formula C24H26N6O3

Additional synonyms for CHEMBL1516 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nc(c(C(=O)O)n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4)C(C)(C)O
Standard InChI InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30 ...
Download InChI
Standard InChI Key VTRAEEWXHOVJFV-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1516

Molecule Features

CHEMBL1516 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Type-1 angiotensin II receptor antagonist Type-1 angiotensin II receptor PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypertensionD006973EFO:0000537hypertension3ClinicalTrials
Essential HypertensionD000075222EFO:1002032primary hypertension3ClinicalTrials
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials

Clinical Data

ClinicalTrials.gov OLMESARTAN
The Cochrane Collaboration OLMESARTAN

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 CHEMBL1516. 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
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 1.000
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 1.000
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 1.000
CHEMBL329 Type-1A angiotensin II receptor Rattus norvegicus 1.000
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 1.000
CHEMBL1671613 Type-1 angiotensin II receptor Cavia porcellus 0.998
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.766



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 1.000
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 1.000
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 1.000
CHEMBL329 Type-1A angiotensin II receptor Rattus norvegicus 1.000
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 1.000
CHEMBL1671613 Type-1 angiotensin II receptor Cavia porcellus 0.999
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.906
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 0.777
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.441

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
446.5 446.2066 3.66 8 129.81 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.39 7.17 2.88 -.91 4 33 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL1516. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VTRAEEWXHOVJFV-UHFFFAOYSA-N
PubChem SID: 174007156 SID: 26719844
Wikipedia Olmesartan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1516



ACToR 144689-24-7
Atlas olmesartan
BindingDB 50241364
Brenda 198849
ChEBI 48416
ChemicalBook CB2350011
DrugBank DB00275
eMolecules 8730922 14091175
EPA CompTox Dashboard DTXSID2040571
FDA SRS 8W1IQP3U10
Human Metabolome Database HMDB0014420
IBM Patent System 338787940335CAA2C165DC530EF646E0 875A049D06CB8084D0A0821DB789BC30
LINCS LSM-5893
Mcule MCULE-9101392328
MolPort MolPort-003-666-606 MolPort-006-069-200
NIH Clinical Collection SAM001246634
Nikkaji J715.876I
PDBe OLM
PubChem 158781
PubChem: Thomson Pharma 14808386
SureChEMBL SCHEMBL94037
ZINC ZINC000000538621

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