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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL315021
CHEMBL315021
Compound Name FORASARTAN
ChEMBL Synonyms FORASARTAN | SC-52458
Max Phase 0
Trade Names
Molecular Formula C23H28N8

Additional synonyms for CHEMBL315021 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1nc(CCCC)n(Cc2ccc(nc2)c3ccccc3c4nn[nH]n4)n1
Standard InChI InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17 ...
Download InChI
Standard InChI Key YONOBYIBNBCDSJ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL315021

Molecule Features

CHEMBL315021 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FORASARTAN
The Cochrane Collaboration FORASARTAN

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 CHEMBL315021. 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
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL329 Type-1A 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
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 1.000
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 0.999



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL329 Type-1A 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
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 1.000
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
416.5 416.2437 5.02 10 98.06 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.02 3.44 6.55 4.56 4 31 0.39

Structural Alerts

There are no structural alerts for CHEMBL315021

Compound Cross References

ChemSpider ChemSpider:YONOBYIBNBCDSJ-UHFFFAOYSA-N
Wikipedia Forasartan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL315021



BindingDB 50049209
DrugBank DB01342
EPA CompTox Dashboard DTXSID70162942
FDA SRS 065F7WPT0B
Guide to Pharmacology 6896
Human Metabolome Database HMDB0015434
IBM Patent System 3ADF5E9ADD5125DBF7383F808F1019D9
Nikkaji J557.449H
PharmGKB PA164776845
PubChem 132706
PubChem: Thomson Pharma 14904609
SureChEMBL SCHEMBL489497
ZINC ZINC000005139136

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