Details of the Drug

General Information of Drug (ID: DMB920Z)

Drug Name

Ceritinib

Synonyms

ceritinib; LDK378; 1032900-25-6; ZYKADIA; NVP-LDK378-NX; LDK-378; UNII-K418KG2GET; LDK378(Ceritinib); LDK 378; Eritinib (LDK378); 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine; K418KG2GET; CHEMBL2403108; CHEBI:78432; AK174337; ceritinib; C28H36ClN5O3S; 5-Chloro-N2-[2-isopropoxy-5-Methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)pyriMidine-2,4-diaMine; 5-Chloro-N2-(5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl)-N4-(2-(propane-2-sulfonyl)phenyl)pyrim

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25.Y	Approved	[1], [2], [3], [4]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

558.1

Topological Polar Surface Area (xlogp)

6.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 41 hours [5]
Metabolism: The drug is metabolized via plasma [6]
Vd: The volume of distribution (Vd) of drug is 4230 L [7]

Chemical Identifiers

Formula: C28H36ClN5O3S
IUPAC Name: 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
Canonical SMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
InChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
InChIKey: VERWOWGGCGHDQE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 57379345
ChEBI ID: CHEBI:78432
CAS Number: 1032900-25-6
DrugBank ID: DB09063
TTD ID: D04LVK
VARIDT ID: DR00228
ACDINA ID: D00115

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ALK tyrosine kinase receptor (ALK)	TTPMQSO	ALK_HUMAN	Modulator	[1]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_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
ALK tyrosine kinase receptor (ALK)	DTT	ALK	7.19E-15	0.18	0.61
P-glycoprotein 1 (ABCB1)	DTP	P-GP	3.12E-33	-8.30E-01	-1.04E+00

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 Same Disease as Ceritinib

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Brigatinib	DM7W94S	Major	Decreased metabolism of Ceritinib caused by Brigatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[24]
Lurbinectedin	DMEFRTZ	Major	Decreased metabolism of Ceritinib caused by Lurbinectedin mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[25]
PF-06463922	DMKM7EW	Major	Decreased metabolism of Ceritinib caused by PF-06463922 mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[26]
Osimertinib	DMRJLAT	Major	Decreased metabolism of Ceritinib caused by Osimertinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[27]
Pralsetinib	DMWU0I2	Major	Decreased metabolism of Ceritinib caused by Pralsetinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[28]
Capmatinib	DMYCXKL	Major	Decreased metabolism of Ceritinib caused by Capmatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[29]
Selpercatinib	DMZR15V	Major	Decreased metabolism of Ceritinib caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[30]
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⏷ Show the Full List of 7 DDI Information of This Drug

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

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Increased risk of hepatotoxicity by the combination of Ceritinib and Remdesivir.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[31]
Arn-509	DMT81LZ	Major	Increased metabolism of Ceritinib caused by Arn-509 mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[32]
Gilteritinib	DMWQ4MZ	Major	Decreased metabolism of Ceritinib caused by Gilteritinib mediated inhibition of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[33]
Oliceridine	DM6MDCF	Major	Decreased metabolism of Ceritinib caused by Oliceridine mediated inhibition of CYP450 enzyme.	Acute pain [MG31]	[34]
Ivabradine	DM0L594	Major	Decreased metabolism of Ceritinib caused by Ivabradine mediated inhibition of CYP450 enzyme.	Angina pectoris [BA40]	[31]
Levalbuterol	DM5YBO1	Moderate	Increased risk of prolong QT interval by the combination of Ceritinib and Levalbuterol.	Asthma [CA23]	[35]
Troleandomycin	DMUZNIG	Major	Decreased metabolism of Ceritinib caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[31]
Erdafitinib	DMI782S	Major	Decreased metabolism of Ceritinib caused by Erdafitinib mediated inhibition of CYP450 enzyme.	Bladder cancer [2C94]	[36]
Pexidartinib	DMS2J0Z	Major	Decreased metabolism of Ceritinib caused by Pexidartinib mediated inhibition of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[37]
LY2835219	DM93VBZ	Major	Decreased metabolism of Ceritinib caused by LY2835219 mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[38]
Tucatinib	DMBESUA	Major	Decreased metabolism of Ceritinib caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[31]
Palbociclib	DMD7L94	Major	Decreased metabolism of Ceritinib caused by Palbociclib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[39]
PF-04449913	DMSB068	Major	Decreased metabolism of Ceritinib caused by PF-04449913 mediated inhibition of CYP450 enzyme.	Chronic myelomonocytic leukaemia [2A40]	[40]
Olodaterol	DM62B78	Moderate	Increased risk of prolong QT interval by the combination of Ceritinib and Olodaterol.	Chronic obstructive pulmonary disease [CA22]	[41]
Vilanterol	DMF5EK1	Moderate	Increased risk of ventricular arrhythmias by the combination of Ceritinib and Vilanterol.	Chronic obstructive pulmonary disease [CA22]	[35]
Osilodrostat	DMIJC9X	Major	Decreased metabolism of Ceritinib caused by Osilodrostat mediated inhibition of CYP450 enzyme.	Cushing syndrome [5A70]	[30]
MK-8228	DMOB58Q	Moderate	Decreased metabolism of Ceritinib caused by MK-8228 mediated inhibition of CYP450 enzyme.	Cytomegaloviral disease [1D82]	[32]
OPC-34712	DMHG57U	Major	Decreased metabolism of Ceritinib caused by OPC-34712 mediated inhibition of CYP450 enzyme.	Depression [6A70-6A7Z]	[42]
Polatuzumab vedotin	DMF6Y0L	Major	Decreased metabolism of Ceritinib caused by Polatuzumab vedotin mediated inhibition of CYP450 enzyme.	Diffuse large B-cell lymphoma [2A81]	[43]
SODIUM CITRATE	DMHPD2Y	Moderate	Decreased absorption of Ceritinib due to altered gastric pH caused by SODIUM CITRATE.	Discovery agent [N.A.]	[32]
Deutetrabenazine	DMUPFLI	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Deutetrabenazine.	Dystonic disorder [8A02]	[44]
Ingrezza	DMVPLNC	Major	Decreased metabolism of Ceritinib caused by Ingrezza mediated inhibition of CYP450 enzyme.	Dystonic disorder [8A02]	[45]
Stiripentol	DMMSDOY	Moderate	Decreased metabolism of Ceritinib caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[30]
Eslicarbazepine	DMZREFQ	Moderate	Increased metabolism of Ceritinib caused by Eslicarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[32]
Bay 80-6946	DMLOS5R	Major	Decreased clearance of Ceritinib due to the transporter inhibition by Bay 80-6946.	Follicular lymphoma [2A80]	[46]
Tazemetostat	DMWP1BH	Major	Decreased metabolism of Ceritinib caused by Tazemetostat mediated inhibition of CYP450 enzyme.	Follicular lymphoma [2A80]	[47]
Ripretinib	DM958QB	Major	Decreased metabolism of Ceritinib caused by Ripretinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[31]
Avapritinib	DMK2GZX	Major	Decreased metabolism of Ceritinib caused by Avapritinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[30]
Daclatasvir	DMSFK9V	Major	Decreased metabolism of Ceritinib caused by Daclatasvir mediated inhibition of CYP450 enzyme.	Hepatitis virus infection [1E50-1E51]	[30]
MK-1439	DM215WE	Minor	Decreased metabolism of Ceritinib caused by MK-1439 mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[48]
Fostemsavir	DM50ILT	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Fostemsavir.	Human immunodeficiency virus disease [1C60-1C62]	[44]
Cobicistat	DM6L4H2	Major	Decreased metabolism of Ceritinib caused by Cobicistat mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[31]
Lesinurad	DMUR64T	Moderate	Decreased metabolism of Ceritinib caused by Lesinurad mediated inhibition of CYP450 enzyme.	Inborn purine/pyrimidine/nucleotide metabolism error [5C55]	[49]
TP-434	DM5A31S	Minor	Decreased metabolism of Ceritinib caused by TP-434 mediated inhibition of CYP450 enzyme.	Infectious gastroenteritis/colitis [1A40]	[50]
Tasimelteon	DMLOQ1V	Moderate	Decreased metabolism of Ceritinib caused by Tasimelteon mediated inhibition of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[51]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of ventricular arrhythmias by the combination of Ceritinib and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[30]
Pemigatinib	DM819JF	Major	Decreased metabolism of Ceritinib caused by Pemigatinib mediated inhibition of CYP450 enzyme.	Liver cancer [2C12]	[30]
GDC-0199	DMH0QKA	Major	Decreased metabolism of Ceritinib caused by GDC-0199 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[52]
IPI-145	DMWA24P	Major	Decreased metabolism of Ceritinib caused by IPI-145 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[53]
Acalabrutinib	DM7GCVW	Major	Decreased metabolism of Ceritinib caused by Acalabrutinib mediated inhibition of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[54]
Selumetinib	DMC7W6R	Major	Decreased metabolism of Ceritinib caused by Selumetinib mediated inhibition of CYP450 enzyme.	Melanoma [2C30]	[55]
LGX818	DMNQXV8	Major	Decreased metabolism of Ceritinib caused by LGX818 mediated inhibition of CYP450 enzyme.	Melanoma [2C30]	[56]
Ubrogepant	DM749I3	Major	Decreased metabolism of Ceritinib caused by Ubrogepant mediated inhibition of CYP450 enzyme.	Migraine [8A80]	[57]
Rimegepant	DMHOAUG	Moderate	Decreased metabolism of Ceritinib caused by Rimegepant mediated inhibition of CYP450 enzyme.	Migraine [8A80]	[58]
Lasmiditan	DMXLVDT	Moderate	Decreased clearance of Ceritinib due to the transporter inhibition by Lasmiditan.	Migraine [8A80]	[59]
Siponimod	DM2R86O	Major	Increased risk of ventricular arrhythmias by the combination of Ceritinib and Siponimod.	Multiple sclerosis [8A40]	[31]
Ozanimod	DMT6AM2	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Ozanimod.	Multiple sclerosis [8A40]	[44]
Deflazacort	DMV0RNS	Major	Decreased metabolism of Ceritinib caused by Deflazacort mediated inhibition of CYP450 enzyme.	Muscular dystrophy [8C70]	[30]
Fedratinib	DM4ZBK6	Major	Decreased metabolism of Ceritinib caused by Fedratinib mediated inhibition of CYP450 enzyme.	Myeloproliferative neoplasm [2A20]	[30]
Rolapitant	DM8XP26	Moderate	Decreased clearance of Ceritinib due to the transporter inhibition by Rolapitant.	Nausea/vomiting [MD90]	[60]
Entrectinib	DMMPTLH	Major	Decreased metabolism of Ceritinib caused by Entrectinib mediated inhibition of CYP450 enzyme.	Non-small cell lung cancer [2C25]	[31]
S-297995	DM26IH8	Moderate	Decreased metabolism of Ceritinib caused by S-297995 mediated inhibition of CYP450 enzyme.	Opioid use disorder [6C43]	[30]
Olaparib	DM8QB1D	Major	Decreased metabolism of Ceritinib caused by Olaparib mediated inhibition of CYP450 enzyme.	Ovarian cancer [2C73]	[31]
Rucaparib	DM9PVX8	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Rucaparib.	Ovarian cancer [2C73]	[44]
Triclabendazole	DMPWGBR	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Triclabendazole.	Parasitic worm infestation [1F90]	[44]
Istradefylline	DM20VSK	Major	Decreased metabolism of Ceritinib caused by Istradefylline mediated inhibition of CYP450 enzyme.	Parkinsonism [8A00]	[61]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Ceritinib caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[62]
Macimorelin	DMQYJIR	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Macimorelin.	Pituitary gland disorder [5A60-5A61]	[63]
Lefamulin	DME6G97	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Lefamulin.	Pneumonia [CA40]	[64]
Relugolix	DMK7IWL	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Relugolix.	Prostate cancer [2C82]	[44]
Darolutamide	DMV7YFT	Minor	Decreased metabolism of Ceritinib caused by Darolutamide mediated inhibition of CYP450 enzyme.	Prostate cancer [2C82]	[65]
Upadacitinib	DM32B5U	Major	Decreased metabolism of Ceritinib caused by Upadacitinib mediated inhibition of CYP450 enzyme.	Rheumatoid arthritis [FA20]	[66]
Voxelotor	DMCS6M5	Major	Decreased metabolism of Ceritinib caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[67]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Ceritinib caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[30]
Larotrectinib	DM26CQR	Major	Decreased metabolism of Ceritinib caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[31]
LEE011	DMMX75K	Major	Increased risk of prolong QT interval by the combination of Ceritinib and LEE011.	Solid tumour/cancer [2A00-2F9Z]	[68]
Pitolisant	DM8RFNJ	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Pitolisant.	Somnolence [MG42]	[44]
Fostamatinib	DM6AUHV	Major	Decreased metabolism of Ceritinib caused by Fostamatinib mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[69]
As-1670542	DMV05SW	Moderate	Decreased metabolism of Ceritinib caused by As-1670542 mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[30]
Lenvatinib	DMB1IU4	Major	Increased risk of prolong QT interval by the combination of Ceritinib and Lenvatinib.	Thyroid cancer [2D10]	[44]
Elagolix	DMB2C0E	Major	Decreased metabolism of Ceritinib caused by Elagolix mediated inhibition of CYP450 enzyme.	Uterine fibroid [2E86]	[70]
Fluticasone	DMGCSVF	Major	Decreased metabolism of Ceritinib caused by Fluticasone mediated inhibition of CYP450 enzyme.	Vasomotor/allergic rhinitis [CA08]	[71]
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⏷ Show the Full List of 72 DDI Information of This Drug

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
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
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Ceritinib 150 mg capsule	150 mg	Oral Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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