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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL291770
CHEMBL291770
Compound Name FLUTEMAZEPAM
ChEMBL Synonyms FLUTEMAZEPAM
Max Phase 0
Trade Names
Molecular Formula C16H12ClFN2O2

Additional synonyms for CHEMBL291770 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)C(O)N=C(c2ccccc2F)c3cc(Cl)ccc13
Standard InChI InChI=1S/C16H12ClFN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21 ...
Download InChI
Standard InChI Key RMFYWNFETXNTIQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL291770

Molecule Features

CHEMBL291770 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 FLUTEMAZEPAM
The Cochrane Collaboration FLUTEMAZEPAM

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 CHEMBL291770. 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
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.650
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.314

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.926
CHEMBL3526 Muscle glycogen phosphorylase Homo sapiens 0.644
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.343

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.7 318.0571 3.26 1 52.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.58 .07 2.01 2.01 2 22 0.88

Structural Alerts

There are no structural alerts for CHEMBL291770

Compound Cross References

ChemSpider ChemSpider:RMFYWNFETXNTIQ-UHFFFAOYSA-N
Wikipedia Flutemazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL291770



ACToR 52391-89-6
IBM Patent System E360E44BCFDC50FCBA23FC5581327044
Nikkaji J69.319G
PubChem 40344
PubChem: Drugs of the Future 22395558
PubChem: Thomson Pharma 15494472
SureChEMBL SCHEMBL1006405

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