Details of the Drug

General Information of Drug (ID: DMNZWL7)

• Drug Name: Moclobemide
• Synonyms: Arima; Aurorex; Aurorix; Deprenorm; Feraken; Manerix; Moclaime; Moclamide; Moclamine; Moclix; Moclobamide; Moclobemid; Moclobemida; Moclobemidum; Moclobeta; Moclodura; Moclonorm; NovoMoclobemide; NuMoclobemide; Rimoc; Alphapharm Brand of Moclobemide; Alpharma Brand of Moclobemide; Apo Moclobemide; Apotex Brand of Moclobemide; Azupharma Brand of Moclobemide; BC Brand of Moclobemide; Betapharm Brand of Moclobemide; Bull Brand of Moclobemide; Chem mart Brand of Moclobemide; Chem mart Moclobemide; Ct Arzneimittel Brand of Moclobemide; DBL Moclobemide; Esparma Brand of Moclobemide; Faulding Brand of Moclobemide; GenRX Moclobemide; Healthsense Brand of Moclobemide; Healthsense Moclobemide; Hexal Brand of Moclobemide; Hoffmann La Roche Brand of Moclobemide; Kendrick Brand of Moclobemide; Merck dura Brand of Moclobemide; Moclobemid AZU; Moclobemid Puren; Moclobemid Stada; Moclobemid ratiopharm; Moclobemid von ct; Moclobemide Alphapharm Brand; Moclobemide Alpharma Brand; Moclobemide Apotex Brand; Moclobemide Azupharma Brand; Moclobemide BC Brand; Moclobemide Bull Brand; Moclobemide Faulding Brand; Moclobemide Healthsense Brand; Moclobemide Hexal Brand; Moclobemide Kendrick Brand; Moclobemide Novopharm Brand; Moclobemide Pharmascience Brand; Moclobemide Roche Brand; Moclobemide Stadapharm Brand; Moclobemide Temmler Brand; Moclobemide betapharm Brand; Moclobemide esparma Brand; Moclobemide ratiopharm Brand; Novo Moclobemide; Novopharm Brand of Moclobemide; Nu Moclobemide; Nu Pharm Brand of Moclobemide; PMS Moclobemide; Pharmascience Brand of Moclobemide; Ratiopharm Brand of Moclobemide; Roche Brand of Moclobemide; Stadapharm Brand of Moclobemide; Temmler Brand of Moclobemide; Terry White Chemists Brand of Moclobemide; Terry White Chemists Moclobemide; CBMicro_048319; Moclobemid 1A Pharma; Moclobemid1A Pharma; Moclobemide 1A Brand; Ro 11 1163; AZU, Moclobemid; Apo-Moclobemide; Aurorix (TN); Ct-Arzneimittel Brand of Moclobemide; Hoffmann-La Roche Brand of Moclobemide; Manerix (TN); Moclobemid-1A Pharma; Moclobemid-Puren; Moclobemid-ratiopharm; Moclobemida [INN-Spanish]; Moclobemide Nu-Pharm Brand; Moclobemide ct-Arzneimittel Brand; Moclobemide, Chem mart; Moclobemide, DBL; Moclobemide, GenRX; Moclobemide, Healthsense; Moclobemidum [INN-Latin]; Novo-Moclobemide; Nu-Moclobemide; Nu-Pharm Brand of Moclobemide; PMS-Moclobemide; Ro 11-1163; Stada, Moclobemid; Von ct, Moclobemid; GNF-PF-695; Moclobemide (USAN/INN); Moclobemide [USAN:BAN:INN]; Moclobemide [USAN:INN:BAN]; Ro 11-1163/000; Ro-11-1163; P-Chloro-N-(2-morpholinoethyl)benzamide; 1A Brand of Moclobemide; 4-Chlor-N-(2-morpholinoethyl)benzamid; 4-Chloro-N-(2-(4-morpholinyl)ethyl)benzamide; 4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide; 4-chloro-N-(2-morpholin-4-ylethyl)benzamide; 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide

Indication

Disease Entry	ICD 11	Status	REF
Depression	6A70-6A7Z	Approved	[1], [2]
Skin imperfections	EK71	Patented	[3]

• Therapeutic Class: Antidepressants
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 268.74
  Topological Polar Surface Area (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 2-6 h [4]
  Bioavailability: The bioavailability of drug is 70% [4]
  Clearance: The clearance of drug is 30-78 L/h [5]
  Half-life: The concentration or amount of drug in body reduced by one-half in 1 - 2 hours [6]
  Metabolism: The drug is metabolized via the liver [7]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.77% [6]
  Vd: The volume of distribution (Vd) of drug is 1-1.5 L/kg [5]
• Chemical Identifiers:
  Formula: C13H17ClN2O2
  IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamide
  Canonical SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl
  InChI: InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
  InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4235
  ChEBI ID: CHEBI:83531
  CAS Number: 71320-77-9
  DrugBank ID: DB01171
  TTD ID: D01ZSO
  VARIDT ID: DR00838
  INTEDE ID: DR1103

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase (MAO)	TT32XQJ	NOUNIPROTAC	Inhibitor	[3]
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[8]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[9]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[10]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[11]

Molecular Expression Atlas of This Drug

• The Studied Disease: Depression
• ICD Disease Classification: 6A70-6A7Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1
Mephenytoin 4-hydroxylase (CYP2C19)	DME	CYP2C19	2.40E-01	-3.31E-02	-1.97E-01
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	7.30E-01	-1.91E-02	-1.41E-01
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	1.90E-01	-9.81E-03	-5.96E-02

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