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
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) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
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
CHEBI:31302
CAS Number
1812-30-2
DrugBank ID
DB01558
TTD ID
D0E3FD
INTEDE ID
DR0231
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) 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) 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.