Details of the Drug

General Information of Drug (ID: DM215WE)

• Drug Name: MK-1439
• Synonyms: Doravirine; 1338225-97-0; UNII-913P6LK81M; MK1439; 913P6LK81M; MK 1439

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 425.7
  Topological Polar Surface Area (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• ADMET Property:
  Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 717-1600 mcgh/L [2]
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 122-262 mcg/L [2]
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1-2 h [2]
  Bioavailability: The bioavailability of drug is 25-35% [2]
  Clearance: The renal clearance of drug is 9.3 mL/min [3]
  Elimination: Only 6% of an administered dose is recovered in the urine unchanged, with even less unchanged drug found in the feces [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 15 hours [3]
  Vd: The volume of distribution (Vd) of drug is 60.5 L [3]
• Chemical Identifiers:
  Formula: C17H11ClF3N5O3
  IUPAC Name: 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile
  Canonical SMILES: CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F
  InChI: InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
  InChIKey: ZIAOVIPSKUPPQW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58460047
  CAS Number: 1338225-97-0
  DrugBank ID: DB12301
  TTD ID: D0R0TS
  INTEDE ID: DR0533
  ACDINA ID: D01014

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1], [4]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[5]
Cytochrome P450 3A5 (CYP3A5) Main DME	DEIBDNY	CP3A5_HUMAN	Substrate	[5]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from MK-1439 (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Ivosidenib	DM8S6T7	Moderate	Increased metabolism of MK-1439 caused by Ivosidenib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[31]
Troleandomycin	DMUZNIG	Minor	Decreased metabolism of MK-1439 caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[31]
Pexidartinib	DMS2J0Z	Major	Increased metabolism of MK-1439 caused by Pexidartinib mediated induction of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[32]
Eslicarbazepine	DMZREFQ	Major	Increased metabolism of MK-1439 caused by Eslicarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[32]
Tazemetostat	DMWP1BH	Moderate	Increased metabolism of MK-1439 caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[31]
Berotralstat	DMWA2DZ	Minor	Decreased metabolism of MK-1439 caused by Berotralstat mediated inhibition of CYP450 enzyme.	Innate/adaptive immunodeficiency [4A00]	[31]
Pemigatinib	DM819JF	Moderate	Increased metabolism of MK-1439 caused by Pemigatinib mediated induction of CYP450 enzyme.	Liver cancer [2C12]	[33]
Lurbinectedin	DMEFRTZ	Moderate	Increased metabolism of MK-1439 caused by Lurbinectedin mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[34]
Selpercatinib	DMZR15V	Minor	Decreased metabolism of MK-1439 caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[31]
Ubrogepant	DM749I3	Moderate	Increased metabolism of MK-1439 caused by Ubrogepant mediated induction of CYP450 enzyme.	Migraine [8A80]	[35]
Rucaparib	DM9PVX8	Minor	Decreased metabolism of MK-1439 caused by Rucaparib mediated inhibition of CYP450 enzyme.	Ovarian cancer [2C73]	[31]
Voxelotor	DMCS6M5	Minor	Decreased metabolism of MK-1439 caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[31]
Larotrectinib	DM26CQR	Minor	Decreased metabolism of MK-1439 caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[31]

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

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Carmellose sodium	E00625	Not Available	Disintegrant
Hypromellose	E00634	Not Available	Coating agent
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Triacetin	E00080	5541	Humectant; Plasticizing agent; Solvent
Hydrophobic colloidal silica	E00285	24261	Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
Hypromellose acetate succinate	E00696	Not Available	Coating agent; Solubilizing agent; Modified-release agent;Film/membrane-forming agent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Doravirine 100 mg tablet	100 mg	Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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• [3] FDA Approved Drug Products: Pifeltro (doravirine) oral tablets
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