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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL432162
CHEMBL432162
Compound Name TASOSARTAN
ChEMBL Synonyms ANA-756 | WAY-ANA-756 | TASOSARTAN
Max Phase 0
Trade Names
Molecular Formula C23H21N7O

Additional synonyms for CHEMBL432162 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)c4ccccc4c5nn[nH]n5)c2n1
Standard InChI InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24- ...
Download InChI
Standard InChI Key ADXGNEYLLLSOAR-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL432162

Molecule Features

CHEMBL432162 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 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease0ATC

Clinical Data

ClinicalTrials.gov TASOSARTAN
The Cochrane Collaboration TASOSARTAN

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 CHEMBL432162. 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
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 1.000
CHEMBL1671613 Type-1 angiotensin II receptor Cavia porcellus 1.000
CHEMBL329 Type-1A 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
CHEMBL5137 Metabotropic glutamate receptor 2 Homo sapiens 0.362



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 1.000
CHEMBL1671613 Type-1 angiotensin II receptor Cavia porcellus 1.000
CHEMBL329 Type-1A 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
CHEMBL5137 Metabotropic glutamate receptor 2 Homo sapiens 0.534

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
411.5 411.1808 3.42 4 100.55 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 6.42 4.6 2.6 4 31 0.55

Structural Alerts

There are no structural alerts for CHEMBL432162

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C09 - AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09C - ANGIOTENSIN II ANTAGONISTS, PLAIN
C09CA - Angiotensin II antagonists, plain
C09CA05 - tasosartan

ChemSpider ChemSpider:ADXGNEYLLLSOAR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL432162



BindingDB 50040439
ChEBI 135666
DrugBank DB01349
DrugCentral 3839
eMolecules 32278055
EPA CompTox Dashboard DTXSID40163148
FDA SRS 48G92V856H
Guide to Pharmacology 6898
Human Metabolome Database HMDB0015439
IBM Patent System 38CE0E7D8957AC840F9B611434DB8D0E 304F5E7DA59460D26440096399FB1AA7
MolPort MolPort-006-167-782 MolPort-027-836-869
Nikkaji J578.440I
PharmGKB PA164769057
PubChem 60919
PubChem: Drugs of the Future 12014735
PubChem: Thomson Pharma 14781918
SureChEMBL SCHEMBL49626
ZINC ZINC000013444037

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