Details of the Drug

General Information of Drug (ID: DMOH8VY)

Drug Name

Dacomitinib

Synonyms

PF-00299804

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25.Y	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

469.9

Topological Polar Surface Area (xlogp)

4.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 3000 mcgh/L [2]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 2 mcg/L [2]
Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1.5 h [2]
Bioavailability: The bioavailability of drug is 60-80% [2]
Clearance: The clearance of drug is 27.06 L/h [3]
Elimination: 79% is recovered in feces, and 3% is recovered in urine [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 70 hours [4]
Metabolism: The drug is metabolized via the glutathione and cytochrome P450 enzymes [5]
Vd: The volume of distribution (Vd) of drug is 2415 L [3]

Chemical Identifiers

Formula: C24H25ClFN5O2
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4
InChI: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
InChIKey: LVXJQMNHJWSHET-AATRIKPKSA-N

Cross-matching ID

PubChem CID: 11511120
ChEBI ID: CHEBI:91466
CAS Number: 1110813-31-4
DrugBank ID: DB11963
TTD ID: D06XXH
VARIDT ID: DR00109
INTEDE ID: DR0407
ACDINA ID: D00982

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Antagonist	[6]
Erbb2 tyrosine kinase receptor (HER2)	TT6EO5L	ERBB2_HUMAN	Antagonist	[7]
Erbb4 tyrosine kinase receptor (Erbb-4)	TT0JESD	ERBB4_HUMAN	Antagonist	[7]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[8]
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[8]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[8]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Non-small-cell lung cancer

ICD Disease Classification

2C25.Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Epidermal growth factor receptor (EGFR)	DTT	EGFR	5.84E-05	0.32	0.55
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	1.14E-01	-7.61E-02	-3.24E-01
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	4.60E-34	-1.33E+00	-2.50E+00
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	5.04E-04	-9.90E-02	-3.91E-01

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Dacomitinib (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Oliceridine	DM6MDCF	Major	Decreased metabolism of Dacomitinib caused by Oliceridine mediated inhibition of CYP450 enzyme.	Acute pain [MG31]	[55]
Pexidartinib	DMS2J0Z	Major	Decreased metabolism of Dacomitinib caused by Pexidartinib mediated inhibition of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[56]
Deutetrabenazine	DMUPFLI	Major	Decreased metabolism of Dacomitinib caused by Deutetrabenazine mediated inhibition of CYP450 enzyme.	Dystonic disorder [8A02]	[57]
Arry-162	DM1P6FR	Moderate	Decreased clearance of Dacomitinib due to the transporter inhibition by Arry-162.	Melanoma [2C30]	[58]
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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
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 3350	E00652	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyvinyl alcohol	E00666	Not Available	Coating agent; Emulsion stabilizing agent; Film/Membrane-forming agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
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⏷ Show the Full List of 8 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Dacomitinib 15 mg tablet	15 mg	Tablet	Oral
Dacomitinib 30 mg tablet	30 mg	Tablet	Oral
Dacomitinib 45 mg tablet	45 mg	Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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