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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL498785
CHEMBL498785
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29FN2O2

Additional synonyms for CHEMBL498785 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](\C=C\c4cc ...
Download SMILES
Standard InChI InChI=1S/C26H29FN2O2/c1-15-25-23(22-9-6-20(28)12-18(22)13-24 ...
Download InChI
Standard InChI Key GTYWVNGLHQVHBJ-FRGGEYDCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL498785

Metabolites for CHEMBL498785

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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
420.5 420.2213 4.84 3 65.21 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.73 4.55 1.65 2 31 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL498785. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GTYWVNGLHQVHBJ-FRGGEYDCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL498785



BindingDB 50261015
FDA SRS 513C7Y5G0B
PubChem 24878828
PubChem: Thomson Pharma 50134251
SureChEMBL SCHEMBL11994829
ZINC ZINC000040972900

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