Details of the Drug

General Information of Drug (ID: DMCLWDJ)

Drug Name

Lumacaftor

Synonyms

VRT-325; VRT-422; VRT-532; VX-809

Indication

Disease Entry	ICD 11	Status	REF
Cystic fibrosis	CA25	Phase 2	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

452.4

Topological Polar Surface Area (xlogp)

4.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption Tmax: The time to maximum plasma concentration (Tmax) is 4 h [3]
Clearance: The clearance of drug is 2.38 L/h [4]
Elimination: 51 of drug is primarily excreted unchanged in the feces, and only a minimal amount of the parent compound and its metabolites are excreted in the urine [4]
Half-life: The concentration or amount of drug in body reduced by one-half in 26 hours [3]
Vd: The volume of distribution (Vd) of drug is 86.0 L [4]

Chemical Identifiers

Formula: C24H18F2N2O5
IUPAC Name: 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
Canonical SMILES: CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O
InChI: InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
InChIKey: UFSKUSARDNFIRC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16678941
ChEBI ID: CHEBI:90951
CAS Number: 936727-05-8
DrugBank ID: DB09280
TTD ID: D0X0CB
VARIDT ID: DR01156

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
cAMP-dependent chloride channel (CFTR)	TTRLZHP	CFTR_HUMAN	Regulator	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

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

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Ivosidenib	DM8S6T7	Major	Increased metabolism of Lumacaftor caused by Ivosidenib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[12]
Gilteritinib	DMWQ4MZ	Major	Accelerated clearance of Lumacaftor due to the transporter induction by Gilteritinib.	Acute myeloid leukaemia [2A60]	[12]
Oliceridine	DM6MDCF	Major	Increased metabolism of Lumacaftor caused by Oliceridine mediated induction of CYP450 enzyme.	Acute pain [MG31]	[13]
Erdafitinib	DMI782S	Major	Increased metabolism of Lumacaftor caused by Erdafitinib mediated induction of CYP450 enzyme.	Bladder cancer [2C94]	[12]
HKI-272	DM6QOVN	Major	Increased metabolism of Lumacaftor caused by HKI-272 mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[14]
LY2835219	DM93VBZ	Major	Increased metabolism of Lumacaftor caused by LY2835219 mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[15]
Esterified estrogens	DM9KZDO	Moderate	Increased metabolism of Lumacaftor caused by Esterified estrogens mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[16]
Alpelisib	DMEXMYK	Major	Increased metabolism of Lumacaftor caused by Alpelisib mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[17]
PF-04449913	DMSB068	Major	Increased metabolism of Lumacaftor caused by PF-04449913 mediated induction of CYP450 enzyme.	Chronic myelomonocytic leukaemia [2A40]	[12]
Levonorgestrel	DM1DP7T	Major	Increased metabolism of Lumacaftor caused by Levonorgestrel mediated induction of CYP450 enzyme.	Contraceptive management [QA21]	[17]
Osilodrostat	DMIJC9X	Major	Increased metabolism of Lumacaftor caused by Osilodrostat mediated induction of CYP450 enzyme.	Cushing syndrome [5A70]	[12]
Bay 80-6946	DMLOS5R	Major	Increased metabolism of Lumacaftor caused by Bay 80-6946 mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[12]
Tazemetostat	DMWP1BH	Major	Increased metabolism of Lumacaftor caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[18]
Ripretinib	DM958QB	Major	Increased metabolism of Lumacaftor caused by Ripretinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[19]
Avapritinib	DMK2GZX	Major	Increased metabolism of Lumacaftor caused by Avapritinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[17]
MK-1439	DM215WE	Major	Increased metabolism of Lumacaftor caused by MK-1439 mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[20]
Fostemsavir	DM50ILT	Major	Increased metabolism of Lumacaftor caused by Fostemsavir mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[12]
TP-434	DM5A31S	Major	Increased metabolism of Lumacaftor caused by TP-434 mediated induction of CYP450 enzyme.	Infectious gastroenteritis/colitis [1A40]	[12]
Pemigatinib	DM819JF	Major	Increased metabolism of Lumacaftor caused by Pemigatinib mediated induction of CYP450 enzyme.	Liver cancer [2C12]	[12]
Brigatinib	DM7W94S	Major	Increased metabolism of Lumacaftor caused by Brigatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[14]
Lurbinectedin	DMEFRTZ	Major	Decreased metabolism of Lumacaftor caused by Lurbinectedin mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[21]
PF-06463922	DMKM7EW	Major	Increased metabolism of Lumacaftor caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[17]
Osimertinib	DMRJLAT	Major	Increased metabolism of Lumacaftor caused by Osimertinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[14]
Pralsetinib	DMWU0I2	Major	Increased metabolism of Lumacaftor caused by Pralsetinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[12]
Capmatinib	DMYCXKL	Major	Increased metabolism of Lumacaftor caused by Capmatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[15]
Selpercatinib	DMZR15V	Major	Increased metabolism of Lumacaftor caused by Selpercatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[12]
Acalabrutinib	DM7GCVW	Major	Increased metabolism of Lumacaftor caused by Acalabrutinib mediated induction of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[22]
Selumetinib	DMC7W6R	Major	Increased metabolism of Lumacaftor caused by Selumetinib mediated induction of CYP450 enzyme.	Melanoma [2C30]	[23]
LGX818	DMNQXV8	Major	Increased metabolism of Lumacaftor caused by LGX818 mediated induction of CYP450 enzyme.	Melanoma [2C30]	[24]
Ubrogepant	DM749I3	Major	Increased metabolism of Lumacaftor caused by Ubrogepant mediated induction of CYP450 enzyme.	Migraine [8A80]	[12]
Rimegepant	DMHOAUG	Major	Increased metabolism of Lumacaftor caused by Rimegepant mediated induction of CYP450 enzyme.	Migraine [8A80]	[25]
Siponimod	DM2R86O	Major	Increased metabolism of Lumacaftor caused by Siponimod mediated induction of CYP450 enzyme.	Multiple sclerosis [8A40]	[14]
Deflazacort	DMV0RNS	Major	Increased metabolism of Lumacaftor caused by Deflazacort mediated induction of CYP450 enzyme.	Muscular dystrophy [8C70]	[17]
Rolapitant	DM8XP26	Major	Increased metabolism of Lumacaftor caused by Rolapitant mediated induction of CYP450 enzyme.	Nausea/vomiting [MD90]	[17]
Entrectinib	DMMPTLH	Major	Increased metabolism of Lumacaftor caused by Entrectinib mediated induction of CYP450 enzyme.	Non-small cell lung cancer [2C25]	[17]
S-297995	DM26IH8	Major	Increased metabolism of Lumacaftor caused by S-297995 mediated induction of CYP450 enzyme.	Opioid use disorder [6C43]	[12]
Istradefylline	DM20VSK	Major	Increased metabolism of Lumacaftor caused by Istradefylline mediated induction of CYP450 enzyme.	Parkinsonism [8A00]	[12]
Macimorelin	DMQYJIR	Moderate	Increased metabolism of Lumacaftor caused by Macimorelin mediated induction of CYP450 enzyme.	Pituitary gland disorder [5A60-5A61]	[26]
Lefamulin	DME6G97	Major	Accelerated clearance of Lumacaftor due to the transporter induction by Lefamulin.	Pneumonia [CA40]	[12]
Darolutamide	DMV7YFT	Major	Increased metabolism of Lumacaftor caused by Darolutamide mediated induction of CYP450 enzyme.	Prostate cancer [2C82]	[15]
Upadacitinib	DM32B5U	Major	Increased metabolism of Lumacaftor caused by Upadacitinib mediated induction of CYP450 enzyme.	Rheumatoid arthritis [FA20]	[12]
Tedizolid	DMG2SKR	Moderate	Decreased clearance of Lumacaftor due to the transporter inhibition by Tedizolid.	Skin and skin-structure infection [1F28-1G0Z]	[17]
Larotrectinib	DM26CQR	Major	Increased metabolism of Lumacaftor caused by Larotrectinib mediated induction of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[14]
Pitolisant	DM8RFNJ	Major	Increased metabolism of Lumacaftor caused by Pitolisant mediated induction of CYP450 enzyme.	Somnolence [MG42]	[17]
Fostamatinib	DM6AUHV	Major	Increased metabolism of Lumacaftor caused by Fostamatinib mediated induction of CYP450 enzyme.	Thrombocytopenia [3B64]	[12]
As-1670542	DMV05SW	Moderate	Increased metabolism of Lumacaftor caused by As-1670542 mediated induction of CYP450 enzyme.	Thrombocytopenia [3B64]	[17]
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⏷ Show the Full List of 46 DDI Information of This Drug

References

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