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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL125236
CHEMBL125236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H18F3N3O6

Additional synonyms for CHEMBL125236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[ ...
Download SMILES
Standard InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18( ...
Download InChI
Standard InChI Key YVXVTLGIDOACBJ-SFHVURJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL125236

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
441.4 441.1148 2.31 8 133.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.13 1.09 3.42 3.42 2 31 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL125236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YVXVTLGIDOACBJ-SFHVURJKSA-N
Wikipedia Andarine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL125236



BindingDB 18665
ChEBI 94760
DrugBank DB07423
eMolecules 31591234
EPA CompTox Dashboard DTXSID40193187
FDA SRS 7UT2HAH49H
Guide to Pharmacology 7849
IBM Patent System C0DE1657EEE6D0790271A2AA17D417D8
LINCS LSM-5880
MolPort MolPort-009-679-416
PDBe B68
PubChem 9824562
PubChem: Thomson Pharma 14783679 16356819
Selleck Andarine
SureChEMBL SCHEMBL2689756
ZINC ZINC000003991693

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