Details of the Drug

General Information of Drug (ID: DM8KLU9)

• Drug Name: Cenobamate
• Synonyms: Cenobamate; Cenobamate (USAN/INN); Cenobamate [INN]; Cenobamate [USAN:INN]; P85X70RZWS; SCHEMBL1682643; YKP3089; 2H-Tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, 2-carbamate, (alphaR)-; 2H-Tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, carbamate (ester), (alphaR)-; 913088-80-9; CHEMBL3989949; CS-0014686; Carbamic acid (R)-(+)-1-(2-chlorophenyl)-2-(2H-tetrazol-2-yl)ethyl ester; HY-17607; UNII-P85X70RZWS

Indication

Disease Entry	ICD 11	Status	REF
Complex partial seizure	8A68.0	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 267.67
  Topological Polar Surface Area (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• ADMET Property:
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1-4 h [2]
  Bioavailability: The bioavailability of drug is 88% [2]
  Clearance: The apparent oral clearance of drug is 0.45-0.63 L/h [2]
  Elimination: 87.8% of drug is eliminated in the urine and 5.2% in the feces [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 50 - 60 hours [2]
  Metabolism: The drug is metabolized via UGT2B7, UGT2B4, and oxidized by a number of cytochromes [2]
  Vd: The volume of distribution (Vd) of drug is 40-50 L [2]
• Chemical Identifiers:
  Formula: C10H10ClN5O2
  IUPAC Name: [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
  Canonical SMILES: C1=CC=C(C(=C1)C(CN2N=CN=N2)OC(=O)N)Cl
  InChI: GFHAXPJGXSQLPT-VIFPVBQESA-N
  InChIKey: 1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1
• Cross-matching ID:
  PubChem CID: 11962412
  CAS Number: 913088-80-9
  DrugBank ID: DB06119
  INTEDE ID: DR0288

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	[3]
Cytochrome P450 2E1 (CYP2E1)	DEVDYN7	CP2E1_HUMAN	Substrate	[3]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[3]
Cytochrome P450 2A6 (CYP2A6)	DEJVYAZ	CP2A6_HUMAN	Substrate	[3]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[3]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[3]
UDP-glucuronosyltransferase 2B7 (UGT2B7) Main DME	DEB3CV1	UD2B7_HUMAN	Substrate	[3]

References

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• [2] FDA Approved Drug Products: Xcopri Cenobamate Oral Tablets
• [3] FDA label of Cenobamate. The 2020 official website of the U.S. Food and Drug Administration.
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