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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697836
CHEMBL1697836
Compound Name FLUTAZOLAM
ChEMBL Synonyms FLUTAZOLAM
Max Phase 0
Trade Names
Molecular Formula C19H18ClFN2O3

Additional synonyms for CHEMBL1697836 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCN1C(=O)CN2CCOC2(c3ccccc3F)c4cc(Cl)ccc14
Standard InChI InChI=1S/C19H18ClFN2O3/c20-13-5-6-17-15(11-13)19(14-3-1-2-4- ...
Download InChI
Standard InChI Key WMFSSTNVXWNLKI-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1697836

Molecule Features

CHEMBL1697836 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FLUTAZOLAM
The Cochrane Collaboration FLUTAZOLAM

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 CHEMBL1697836. 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
CHEMBL240 HERG Homo sapiens 0.638

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL240 HERG Homo sapiens 0.958

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
376.8 376.099 2.35 3 53.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.95 -.78 -.78 2 26 0.89

Structural Alerts

There are no structural alerts for CHEMBL1697836

Compound Cross References

ChemSpider ChemSpider:WMFSSTNVXWNLKI-UHFFFAOYSA-N
Wikipedia Flutazolam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697836



ACToR 27060-91-9
ChEBI 31628
DrugCentral 1224
EPA CompTox Dashboard DTXSID6023072
IBM Patent System A8CAFA4C5CB269659C9079513A1BC84B
Nikkaji J3.166F
PubChem 3398
PubChem: Drugs of the Future 22395232
PubChem: Thomson Pharma 15473753
SureChEMBL SCHEMBL546958

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