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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292963
CHEMBL292963
Compound Name
ChEMBL Synonyms Minalrestat
Max Phase 0
Trade Names
Molecular Formula C19H11BrF2N2O4

Additional synonyms for CHEMBL292963 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]4(CC(=O)NC4=O)c2c1
Standard InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)1 ...
Download InChI
Standard InChI Key BMHZAHGTGIZZCT-LJQANCHMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292963

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
449.2 447.987 2.19 2 83.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.99 - 1.38 1.38 2 28 0.56

Structural Alerts

There are 5 structural alerts for CHEMBL292963. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BMHZAHGTGIZZCT-LJQANCHMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292963



BindingDB 50038843
DrugBank DB07450
IBM Patent System EC5B9071E906C6FF5A5F56EC3441A729
PDBe BFI
PubChem 447950
PubChem: Thomson Pharma 14881926
SureChEMBL SCHEMBL9388567
ZINC ZINC000000597385

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