Details of the Drug

General Information of Drug (ID: DMPCG2L)

Drug Name

Flumazenil

Synonyms

flumazenil; 78755-81-4; Anexate; Flumazepil; Romazicon; Lanexat; Mazicon; Ro 15-1788; Flumazenilum; Flumazenilo; Flumazenilum [Latin]; Flumazenilo [Spanish]; Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate; [11C]flumazenil; Ro 151788; Flumazenil (Ro 15-1788); Ro-15-1788; UNII-40P7XK9392; C15H14FN3O3; CHEMBL407; Ro15-1788; BRN 4763661; MLS000028850; Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; CHEBI:5103; OFBIFZUFASYYRE-UHFFFAOYSA-N; FlumUP TD; Flumazenil (transdermal patch formulation); Flumazenil (transdermal patch formulation), Coeruleus

Indication

Disease Entry	ICD 11	Status	REF
Benzodiazepine overdose	PC91	Approved	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

303.29

Topological Polar Surface Area (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Clearance: The drug present in the plasma can be removed from the body at the rate of 16 mL/min/kg [4]
Elimination: 0.5% of drug is excreted from urine in the unchanged form [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 40 - 80 minutes [4]
Metabolism: The drug is metabolized via the hepatic [5]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.16486 micromolar/kg/day [6]
Unbound Fraction: The unbound fraction of drug in plasma is 0.58% [4]
Vd: The volume of distribution (Vd) of drug is 0.9-1.1 L/kg [7]
Water Solubility: The ability of drug to dissolve in water is measured as 0.128 mg/mL [3]

Chemical Identifiers

Formula: C15H14FN3O3
IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
InChI: InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKey: OFBIFZUFASYYRE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3373
ChEBI ID: CHEBI:5103
CAS Number: 78755-81-4
DrugBank ID: DB01205
TTD ID: D0D5GD
ACDINA ID: D01087

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Modulator (allosteric modulator)	[8]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_HUMAN	Modulator (allosteric modulator)	[9]
GABA(A) receptor alpha-5 (GABRA5)	TTNZPQ1	GBRA5_HUMAN	Modulator (allosteric modulator)	[10]
GABA(A) receptor gamma-3 (GABRG3)	TTEX6LM	GBRG3_HUMAN	Modulator (allosteric modulator)	[11]
Translocator protein (TSPO)	TTPTXIN	TSPO_HUMAN	Antagonist	[12]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Benzodiazepine overdose

ICD Disease Classification

PC91

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Translocator protein (TSPO)	DTT	TSPO	3.93E-10	0.43	1.02
GABA(A) receptor alpha-5 (GABRA5)	DTT	GABRA5	3.15E-09	-0.68	-0.61

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Acetic acid	E00002	176	Acidulant; Buffering agent
Hydrochloric acid	E00015	313	Acidulant
methylparaben	E00149	7456	Antimicrobial preservative
Propylparaben sodium	E00567	23679044	Antimicrobial preservative
Edetate disodium	E00186	8759	Complexing agent
Sodium chloride	E00077	5234	Diluent; Tonicity agent
Sodium hydroxide	E00234	14798	Alkalizing agent
Water	E00035	962	Solvent
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⏷ Show the Full List of 8 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Flumazenil 1mg/10ml injectable	1mg/10ml	Injectable	Injection
Flumazenil 0.5mg/5ml injectable	0.5mg/5ml	Injectable	Injection

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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9	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 406).
10	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 408).
11	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 415).
12	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2879).
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