Details of the Drug

General Information of Drug (ID: DMY9TCW)

Drug Name

Bromazepam

Synonyms

Bromazepamum; Calmepam; Compedium; Compendium; Creosedin; Durazanil; Lectopam; Lekotam; Lexaurin; Lexilium; Lexomil; Lexotan; Lexotanil; Normoc; Somalium; Ultramidol; Bromazepamum [Latin]; LA Xvii; KL 001; Ro 53350; Apo-Bromazepam; Brazepam (TN); Bromaze (TN); Bromazepam(USAN; Bromazepamum [INN-Latin]; Gen-Bromazepam; KL-001; Lectopam (TN); Lexotan (TN); Novo-bromazepam; Nu-Bromazepam; Ro 4-9253; Ro 5-3350; Bromazepam (JP15/USAN/INN); Bromazepam [USAN:INN:BAN:JAN]; 1,3-Dihydro-7-bromo-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one; 7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzdiazepin-2-one; 7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one; 7-Bromo-5-(2-pyridyl)-3H-1,4-benzodiaxepin-2(1H)-one; 7-Bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2(1H)-one; 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Approved	[1]
Panic attacks	MB23.H	Approved	[1]

Therapeutic Class

Hypnotics and Sedatives

Affected Organisms

Humans and other mammals

ATC Code

N05BA08: Bromazepam

N05BA: Benzodiazepine derivatives

N05B: ANXIOLYTICS

N05: PSYCHOLEPTICS

N: NERVOUS SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

316.15

Logarithm of the Partition Coefficient (xlogp)

1.7

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 [2]
Bioavailability: 84% of drug becomes completely available to its intended biological destination(s) [3]
Clearance: The clearance of drug is 0.82 mL/min/kg []
Half-life: The concentration or amount of drug in body reduced by one-half in 10 - 20 hours [4]
Metabolism: The drug is metabolized via the hepatic []
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 1.3556 micromolar/kg/day [5]
Unbound Fraction: The unbound fraction of drug in plasma is 0.48% [4]
Vd: The volume of distribution (Vd) of drug is 1.56 L/kg []
Water Solubility: The ability of drug to dissolve in water is measured as 0.17 mg/mL [2]

Chemical Identifiers

Formula: C14H10BrN3O
IUPAC Name: 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
InChI: InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
InChIKey: VMIYHDSEFNYJSL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2441
ChEBI ID: CHEMBL31302
CAS Number: 1812-30-2
UNII: X015L14V0O
DrugBank ID: DB01558
TTD ID: D0E3FD
INTEDE ID: DR0231

Drug ADMET Endpoint Profile (DAE)^NEW

Click to Jump to the Detailed DAE Information of This Drug

Repurposed Drugs (RPD)

Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Binder	[6]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[7]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[7]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldo-keto reductase family 1 member C3 (AKR1C3)	OTU2SXBA	AK1C3_HUMAN	Gene/Protein Processing	[8]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Anxiety disorder

ICD Disease Classification

6B00-6B0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor AMPA (GRIA)	DTT	NO-GeName	1.79E-04	-0.69	-0.58
Cytochrome P450 1A2 (CYP1A2)	DME	CYP1A2	7.36E-01	1.62E-02	1.08E-01
Mephenytoin 4-hydroxylase (CYP2C19)	DME	CYP2C19	2.40E-01	-3.31E-02	-1.97E-01

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Drug information of Bromazepam, 2008. eduDrugs.
2	BDDCS applied to over 900 drugs
3	Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6	Glutamatergic and GABAergic modulations of ultrasonic vocalizations during maternal separation distress in mouse pups. Psychopharmacology (Berl). 2009 May;204(1):61-71.
7	Selective serotonin reuptake inhibitors and CNS drug interactions. A critical review of the evidence. Clin Pharmacokinet. 1997 Dec;33(6):454-71.
8	Substrate specificity of human 3(20)alpha-hydroxysteroid dehydrogenase for neurosteroids and its inhibition by benzodiazepines. Biol Pharm Bull. 2002 Apr;25(4):441-5.