Details of the Drug

General Information of Drug (ID: DMMUOLJ)

• Drug Name: Varenicline
• Synonyms: CP 526555; Champix (TN); Chantix (TN); Varenicline (INN); 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine; 7,8,9,10-tetrahydro-6h-6,10-methanoazepino[4,5-g]quinoxaline

Indication

Disease Entry	ICD 11	Status	REF
Smoking dependence	6C4A.2	Approved	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 211.26
  Topological Polar Surface Area (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [3]
  Bioavailability: 87% of drug becomes completely available to its intended biological destination(s) [4]
  Elimination: 92% of drug is excreted from urine in the unchanged form [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 24 hours [5]
  Metabolism: The drug is metabolized via the kidneys [6]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.13524 micromolar/kg/day [7]
  Water Solubility: The ability of drug to dissolve in water is measured as 0.2 mg/mL [3]
• Chemical Identifiers:
  Formula: C13H13N3
  IUPAC Name: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
  Canonical SMILES: C1C2CNCC1C3=CC4=NC=CN=C4C=C23
  InChI: InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
  InChIKey: JQSHBVHOMNKWFT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 170361
  CAS Number: 249296-44-4
  DrugBank ID: DB01273
  TTD ID: D0LM4A
  VARIDT ID: DR00237
  ACDINA ID: D00722

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2)	TTL1ATN	ACHA4_HUMAN; ACHB2_HUMAN	Modulator	[2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic cation transporter 1 (SLC22A1)	DTT79CX	S22A1_HUMAN	Substrate	[8]
Organic cation transporter 2 (SLC22A2)	DT9IDPW	S22A2_HUMAN	Substrate	[9]

Molecular Expression Atlas of This Drug

• The Studied Disease: Smoking dependence
• ICD Disease Classification: 6C4A.2

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2)	DTT	CHRNA4-CHRNB2	3.51E-10	-0.15	-0.61
Organic cation transporter 1 (SLC22A1)	DTP	SLC22A1	8.54E-01	1.24E-02	7.20E-02
Organic cation transporter 2 (SLC22A2)	DTP	SLC22A2	8.22E-01	-1.05E-02	-3.83E-02

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
FD&C blue no. 2	E00446	2723854	Colorant
Calcium hydrogenphosphate	E00294	24441	Diluent
Carmellose sodium	E00625	Not Available	Disintegrant
Magnesium stearate	E00208	11177	lubricant
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Triacetin	E00080	5541	Humectant; Plasticizing agent; Solvent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Varenicline 0.5 mg tablet	0.5 mg	Oral Tablet	Oral
Varenicline 1 mg tablet	1 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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