Details of the Drug

General Information of Drug (ID: DMGR5Z3)

• Drug Name: Flunitrazepam
• Synonyms: Flunibeta; Flunimerck; Fluninoc; Flunitrazepamum; Fluridrazepam; Narcozep; Primun; Rohipnol; Rohypnol; Roipnol; Betapharm Brand of Flunitrazepam; Ct Arzneimittel Brand of Flunitrazepam; Flunitrazepam Teva; Flunitrazepam neuraxpharm; Flunitrazepam ratiopharm; Flunizep von ct; Hexal Brand of Flunitrazepam; Merck dura Brand ofFlunitrazepam; Neuraxpharm Brand of Flunitrazepam; Ratiopharm Brand of Flunitrazepam; Roche Brand of Flunitrazepam; Teva Brand of Flunitrazepam; Fluni 1A Pharma; RO54200; [3H]flunitrazepam; Ct-Arzneimittel Brand of Flunitrazepam; Darkene (TN); Flunipam (TN); Flunitrazepam-Teva; Flunitrazepam-neuraxpharm; Flunitrazepam-ratiopharm; Flunitrazepamum [INN-Latin]; Hipnosedon (TN); Hypnodorm (TN); Ilman(TN); Insom (TN); Nilium (TN); Ro 5-4200; Rohypnol (TN); Rufinol (TN); Silece (TN); Vulbegal (TN); RO-5-4200; Flunitrazepam (JP15/USAN/INN); Flunitrazepam [USAN:INN:BAN:JAN]; 1,3-Dihydro-5-(o-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one; 1-Methyl-7-nitro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2(1H)-one; 1A Brand of Flunitrazepam; 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 5-(2-Fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2(1H)-one; 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one; 5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

Indication

Disease Entry	ICD 11	Status	REF
Insomnia	7A00-7A0Z	Approved	[1], [2]

• Therapeutic Class: Hypnotics and Sedatives
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 313.28
  Topological Polar Surface Area (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• ADMET Property:
  Absorption: The oral absorption of drug is 64-77% and the suppository absorption is 50% [3]
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
  Bioavailability: 80% of drug becomes completely available to its intended biological destination(s) [5]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 1.4 mL/min/kg [6]
  Elimination: 0.5% of drug is excreted from urine in the unchanged form [4]
  Half-life: The concentration or amount of drug in body reduced by one-half in 18 - 26 hours [6]
  Metabolism: The drug is metabolized via the hepatic [3]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.10629 micromolar/kg/day [7]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.17% [6]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.9 L/kg [6]
  Water Solubility: The ability of drug to dissolve in water is measured as 0.004 mg/mL [4]
• Chemical Identifiers:
  Formula: C16H12FN3O3
  IUPAC Name: 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
  Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
  InChI: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
  InChIKey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3380
  ChEBI ID: CHEBI:31622
  CAS Number: 1622-62-4
  DrugBank ID: DB01544
  TTD ID: D0W2NM
  INTEDE ID: DR0712

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Translocator protein (TSPO)	TTPTXIN	TSPO_HUMAN	Agonist	[8]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[9]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[10]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[11]
Cytochrome P450 2A6 (CYP2A6)	DEJVYAZ	CP2A6_HUMAN	Substrate	[10]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[12]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[10]
Oxygen-insensitive NADPH nitroreductase B (nfsB)	DE0QLUZ	NFSB_ECOLI	Substrate	[13]

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