CERITINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H36ClN5O3S
Molecular Weight	558.135
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CERITINIB

Structure Search

SMILES

CC(C)OC1=CC(C2CCNCC2)=C(C)C=C1NC3=NC=C(Cl)C(NC4=CC=CC=C4S(=O)(=O)C(C)C)=N3

InChI

InChIKey=VERWOWGGCGHDQE-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C28H36ClN5O3S
Molecular Weight	558.135
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:59 UTC 2023` Edited by `admin` on `Sat Dec 16 09:49:59 UTC 2023`
Record UNII	K418KG2GET
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CERITINIB

Official Name

English

CERITINIB [MI]

Common Name

English

2,4-PYRIMIDINEDIAMINE, 5-CHLORO-N4-(2-((1-METHYLETHYL)SULFONYL)PHENYL)-N2-(5-METHYL-2-(1-METHYLETHOXY)-4-(4-PIPERIDINYL)PHENYL)-

Systematic Name

English

CERITINIB [ORANGE BOOK]

Common Name

English

CERITINIB [USAN]

Common Name

English

ceritinib [INN]

Common Name

English

NVP-LDK-378-NX

Code

English

LDK-378

Code

English

5-CHLORO-N4-(2-((1-METHYLETHYL)SULFONYL)PHENYL)-N2-(5-METHYL-2-(1-METHYLETHOXY)-4- (PIPERIDIN-4-YL)PHENYL)PYRIMIDINE-2,4-DIAMINE

Systematic Name

English

ZYKADIA

Brand Name

English

LDK378

Code

English

5-CHLORO-N2-(5-METHYL-4-(PIPERIDIN-4-YL)-2-(PROPAN-2-YLOXY)PHENYL)-N4-(2-(PROPANE-2- SULFONYL)PHENYL)PYRIMIDINE-2,4-DIAMINE

Systematic Name

English

NVP-LDK378-NX

Code

English

CERITINIB [JAN]

Common Name

English

CERITINIB [VANDF]

Common Name

English

Ceritinib [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C141136

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

WHO-ATC

L01XE28

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

FDA ORPHAN DRUG

405213

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

NDF-RT

N0000175605

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

Code System Code Type Description

INN

9817

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

EU-Orphan Drug

5-chloro-N2-[2-isopropoxy(-5-methyl-4-...(NEGATIVE)

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

Treatment of non-small cell lung cancer (NSCLC) that is anaplastic lymphoma kinase (ALK)-positive 28/03/2014 Negative

LACTMED

Ceritinib

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

NDF-RT

N0000185504

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

Cytochrome P450 2C9 Inhibitors [MoA]

NDF-RT

N0000020000

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

Receptor Tyrosine Kinase Inhibitors [MoA]

NDF-RT

N0000190114

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

Cytochrome P450 3A Inhibitors [MoA]

DAILYMED

K418KG2GET

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

MERCK INDEX

m11724

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

CAS

1032900-25-6

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

CHEBI

78432

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

NCI_THESAURUS

C115112

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

USAN

BC-20

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

EVMPD

SUB130802

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

SMS_ID

100000156788

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

WIKIPEDIA

Ceritinib

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

IUPHAR

7397

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

DRUG BANK

DB09063

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

ChEMBL

CHEMBL2403108

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

RXCUI

1535457

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

RxNorm

DRUG CENTRAL

4866

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

EPA CompTox

DTXSID10725373

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

PUBCHEM

57379345

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

FDA UNII

K418KG2GET

Created by admin on Sat Dec 16 09:50:00 UTC 2023 , Edited by admin on Sat Dec 16 09:50:00 UTC 2023

PRIMARY

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CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Comments:

ceritinib also inhibits CYP2C9 in vitro.


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Comments:

RESPONSIBLE FOR 90 PERCENT OF METABOLISM

Interaction Type:

MAJOR

Amount:


					K418KG2GET

CERITINIB

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					K418KG2GET

CERITINIB

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					4M56WLI1MN

ANAPLASTIC LYMPHOMA KINASE

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:

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2-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-4-METHYL-5-(PIPERIDIN-4-YL)PHENOL

METABOLITE -> PARENT

Interaction Type:

IN-VIVO

Qualification:

FECAL; PLASMA


					96MQ078Z27

6-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-2-MERCAPTO-4-METHYL-3-(PIPERIDIN-4-YL)PHENOL

METABOLITE -> PARENT

Interaction Type:

IN-VIVO

Qualification:

FECAL

Amount:

Related Record Type Details


					K418KG2GET

CERITINIB

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC