ALECTINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H34N4O2
Molecular Weight	482.6166
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALECTINIB

Structure Search

SMILES

CCC1=C(C=C2C(=C1)C(=O)C3=C(NC4=C3C=CC(=C4)C#N)C2(C)C)N5CCC(CC5)N6CCOCC6

InChI

InChIKey=KDGFLJKFZUIJMX-UHFFFAOYSA-N

InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ALECTINIB

Official Name

English

ALECTINIB [MI]

Common Name

English

alectinib [INN]

Common Name

English

AF-802

Code

English

RO-5424802

Code

English

9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile

Systematic Name

English

ALECTINIB [USAN]

Common Name

English

CH5424802

Code

English

AF802

Code

English

RO5424802

Code

English

Alectinib [WHO-DD]

Common Name

English

5H-BENZO(B)CARBAZOLE-3-CARBONITRILE, 9-ETHYL-6,11-DIHYDRO-6,6-DIMETHYL-8-(4-(4-MORPHOLINYL)-1-PIPERIDINYL)-11-OXO-

Systematic Name

English

CH-5424802

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

462814

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

WHO-ATC

L01XE36

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

NDF-RT

N0000175605

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

NCI_THESAURUS

C141136

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

Code System Code Type Description

EVMPD

SUB178557

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

LACTMED

Alectinib

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

IUPHAR

7739

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

PUBCHEM

49806720

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

RXCUI

1727455

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

RxNorm

ChEMBL

CHEMBL1738797

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

INN

9699

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

DRUG BANK

DB11363

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

EPA CompTox

DTXSID50154840

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

CHEBI

62268

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

USAN

AB-131

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

FDA UNII

LIJ4CT1Z3Y

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

DRUG CENTRAL

4937

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

NCI_THESAURUS

C101790

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

NDF-RT

N0000175082

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

Kinase Inhibitors [MoA]

SMS_ID

100000164226

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

MERCK INDEX

m11898

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

CAS

1256580-46-7

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

DAILYMED

LIJ4CT1Z3Y

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

CHEBI

90936

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

WIKIPEDIA

Alectinib

Created by admin on Sat Dec 16 05:32:16 UTC 2023 , Edited by admin on Sat Dec 16 05:32:16 UTC 2023

PRIMARY

ACTIVE MOIETY


					LIJ4CT1Z3Y

ALECTINIB

METABOLITE (PARENT)


					83XL789LVX

2-((1-(3-CYANO-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOL-8-YL)-4-PIPERIDYL)-(2-HYDROXYETHYL)AMINO)ACETIC ACID

METABOLITE (PARENT)


					CX3VX49ATK

8-(4-AMINO-1-PIPERIDINYL)-9-ETHYL-6,11-DIHYDRO-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOLE-3-CARBONITRILE

METABOLITE (PARENT)


					P6KVL3K68W

8-(4-(2-ACETONYLOXYETHYLAMINO)-1-PIPERIDYL)-9-ETHYL-6,6-DIMETHYL-11-OXO-5H-BENZO(B)CARBAZOLE-3-CARBONITRILE

METABOLITE ACTIVE (PARENT)


					6L7WLR552I

5H-BENZO(B)CARBAZOLE-3-CARBONITRILE, 9-ETHYL-6,11-DIHYDRO-8-(4-((2-HYDROXYETHYL)AMINO)-1-PIPERIDINYL)-6,6-DIMETHYL-11-OXO-

SALT/SOLVATE (PARENT)


					P9YY73LO6J

Alectinib Hydrochloride