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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL407
CHEMBL407
Compound Name FLUMAZENIL
ChEMBL Synonyms FLUMAZENIL | RO 15-1788/000 | ROMAZICON | ANEXATE | Ro-15-1788 | Mazicon | FLUMAZEPIL
Max Phase 4 (Approved)
Trade Names FLUMAZENIL | Flumazepil | ROMAZICON | ANEXATE | Mazicon
Molecular Formula C15H14FN3O3

Additional synonyms for CHEMBL407 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
Standard InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9 ...
Download InChI
Standard InChI Key OFBIFZUFASYYRE-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL407

Molecule Features

CHEMBL407 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-A receptor; anion channel allosteric antagonist GABA-A receptor; anion channel FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnxietyD001007EFO:0005230anxiety1ClinicalTrials
Obsessive-Compulsive DisorderD009771EFO:0004242obsessive-compulsive disorder2ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence2ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia1ClinicalTrials

Clinical Data

ClinicalTrials.gov FLUMAZENIL
The Cochrane Collaboration FLUMAZENIL

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 CHEMBL407. 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
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.469
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.286

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL3026 GABA receptor alpha-3 subunit Homo sapiens 0.994
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.329

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
303.3 303.1019 1.77 2 64.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .86 2.15 2.15 2 22 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL407. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AB - Antidotes
V03AB25 - flumazenil

ChemSpider ChemSpider:OFBIFZUFASYYRE-UHFFFAOYSA-N
DailyMed flumazenil
PubChem SID: 104171157 SID: 11111184 SID: 11114035 SID: 11532958 SID: 170464960 SID: 26719655 SID: 26752172 SID: 26752173 SID: 50104818 SID: 56422177 SID: 85231047 SID: 90341071
Wikipedia Flumazenil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL407



ACToR 78755-81-4
BindingDB 26263
ChEBI 5103
ChemicalBook CB9208108
DrugBank DB01205
DrugCentral 1195
eMolecules 538442
EPA CompTox Dashboard DTXSID2023064
FDA SRS 40P7XK9392
Guide to Pharmacology 4192 4367
Human Metabolome Database HMDB0015336
IBM Patent System F7CF9C04D05551ADC762C31DB719E59D
KEGG Ligand C07825
LINCS LSM-4228
Mcule MCULE-2830706565
MolPort MolPort-003-666-855
NIH Clinical Collection SAM001246763
Nikkaji J23.594F
PDBe FYP
PharmGKB PA449659
PubChem 3373
PubChem: Drugs of the Future 12013048
PubChem: Thomson Pharma 14849666
Selleck Flumazenil
SureChEMBL SCHEMBL79030
ZINC ZINC000000001464

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