Details of the Drug

General Information of Drug (ID: DMNKSX3)

Drug Name
Medazepam
Synonyms
Aensius; Ansilan; Azepamide; Benaon; Enobrin; Lerisum; Medaurin; Medazepam [INN:BAN:JAN]; Medazepamum [INN-Latin]; Narsis; Navizil; Nivelton; Nobraksin; Nobral; Nobrium; Nobrium HCl; P0J3387W3S; RB 252; Resmit; Rudotel; Stratium; YLCXGBZIZBEVPZ-UHFFFAOYSA-N; medazepam; 1H-1,4-BENZODIAZEPINE, 7-CHLORO-2,3-DIHYDRO-1-METHYL-5-PHENYL-; 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepine; BRN 0407983; CHEMBL28333; DEA No. 2836; EINECS 220-783-4; NCGC00164523-01; UNII-P0J3387W3S
ATC Code
N05BA03: Medazepam
N05BA: Benzodiazepine derivatives
N05B: ANXIOLYTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 270.75
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H15ClN2
IUPAC Name
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
Canonical SMILES
CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
InChIKey
YLCXGBZIZBEVPZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4041
ChEBI ID
CHEMBL31807
CAS Number
2898-12-6
UNII
P0J3387W3S
DrugBank ID
DB13437
INTEDE ID
DR1007
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [1]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aldo-keto reductase family 1 member C1 (AKR1C1) OTQKR4CM AK1C1_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member C2 (AKR1C2) OTQ2XMO3 AK1C2_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member C3 (AKR1C3) OTU2SXBA AK1C3_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member C4 (AKR1C4) OTW2MMOF AK1C4_HUMAN Gene/Protein Processing [3]
Nuclear receptor subfamily 1 group I member 2 (NR1I2) OTC5U0N5 NR1I2_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Midazolam and other benzodiazepines. Handb Exp Pharmacol. 2008;(182):335-60.
2 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.
3 Selective and potent inhibitors of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) that metabolizes neurosteroids derived from progesterone. Chem Biol Interact. 2003 Feb 1;143-144:503-13.
4 Benzodiazepines medazepam and midazolam are activators of pregnane X receptor and weak inducers of CYP3A4: investigation in primary cultures of human hepatocytes and hepatocarcinoma cell lines. Toxicol Lett. 2010 Mar 15;193(2):183-8.