ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL178457
CHEMBL178457
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H23F2N3O4

Additional synonyms for CHEMBL178457 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C(=O)N(C[C@H](N)c2ccccc2)C(=O)N1Cc3c(F)cccc3F)c4ccc5OC ...
Download SMILES
Standard InChI InChI=1S/C27H23F2N3O4/c1-16-25(18-10-11-23-24(12-18)36-15-35 ...
Download InChI
Standard InChI Key FFDBDHNMNCPWCW-QFIPXVFZSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL178457

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
491.5 491.1657 3.74 6 88.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 5.22 4.1 4 36 0.44

Structural Alerts

There are no structural alerts for CHEMBL178457

Compound Cross References

ChemSpider ChemSpider:FFDBDHNMNCPWCW-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL178457



BindingDB 50162006
PubChem 11455317
PubChem: Thomson Pharma 16859889
ZINC ZINC000013609620

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