Details of the Drug

General Information of Drug (ID: DMAFBCY)

• Drug Name: Mequitazine
• Synonyms: Butix; Instotal; Kitazemin; Mequitazina; Mequitazinum; Metaplexan; Mircol; Primalan; Quitadrill; Vigigan; Virginan; Zesulan; Italfarmaco brand of mequitazine; Mequitazina [Spanish]; Mequitazine hydrochloride; Pierre Fabre brand of mequitazine; LM 209; Kitazemin (TN); LM-209; Mequitazina [INN-Spanish]; Mequitazinum [INN-Latin]; Mequitazine (JP15/INN); Mequitazine [INN:BAN:DCF:JAN]; Mequitazine tartrate, (R-(R*,R*))-isomer; 10-(1-Azabicyclo[2.2.2]oct-3-ylmethyl)-10H-phenothiazine; 10-(1-azabicyclo(2.2.2)oct-8-ylmethyl)phenothiazine; 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine; 10-(3-Quinuclidinylmethyl)phenothiazine; 10H-Phenothiazine, 10-(1-azabicyclo(2.2.2)oct-3-ylmethyl)-(9CI); 3-Methylquinuclidinyl-10-phenothiazine

Indication

Disease Entry	ICD 11	Status	REF
Allergic rhinitis	CA08.0	Approved	[1]
Respiratory disease	CB40	Phase 2	[2]

• Therapeutic Class: Antihistamines
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 322.5
  Topological Polar Surface Area (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H22N2S
  IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine
  Canonical SMILES: C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53
  InChI: InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
  InChIKey: HOKDBMAJZXIPGC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4066
  ChEBI ID: CHEBI:31821
  CAS Number: 29216-28-2
  DrugBank ID: DB01071
  TTD ID: D09IMS
  VARIDT ID: DR01379
  INTEDE ID: DR1030

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Antagonist	[3]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[5]

Molecular Expression Atlas of This Drug

• The Studied Disease: Allergic rhinitis
• ICD Disease Classification: CA08.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43
P-glycoprotein 1 (ABCB1)	DTP	P-GP	6.54E-01	1.95E-01	4.04E-01
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	8.70E-01	2.98E-02	1.22E-01

References

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• [2] ClinicalTrials.gov (NCT01951222) Bronchodilator Properties and Safety in Asthma. U.S. National Institutes of Health.
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