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navitoclax (Q18002993)

From Wikidata

chemical compound

ABT 263
ABT-263
Navitoclax

Language	Label	Description	Also known as
default for all languages	No label defined
English	navitoclax	chemical compound	ABT 263 ABT-263 Navitoclax

Statements

type of chemical entity

0 references

4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[4-[[4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

1 reference

based on heuristic

inferred from InChIKey

0 references

chemical structure

Navitoclax.svg
512 × 280; 24 KB

0 references

chemical formula

C₄₇H₅₅ClF₃N₅O₆S₃

1 reference

language of work or name

Navitoclax (English)

19 October 2016

canonical SMILES

CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

1 reference

language of work or name

Navitoclax (English)

19 October 2016

isomeric SMILES

CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

1 reference

language of work or name

Navitoclax (English)

19 October 2016

physically interacts with

BCL2 apoptosis regulator

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

BCL2 apoptosis regulator

subject has role

reaction inhibitor

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL443684

subject has role

reaction inhibitor

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL443684

973.296±0 dalton

1 reference

language of work or name

Navitoclax (English)

19 October 2016

subject has role

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1

1 reference

language of work or name

Navitoclax (English)

19 October 2016

JLYAXFNOILIKPP-KXQOOQHDSA-N

2 references

language of work or name

Navitoclax (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

navitoclax (English)

19 October 2016

JLYAXFNOILIKPP-KXQOOQHDSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=923564-51-6

1 reference

language of work or name

Navitoclax (English)

19 October 2016

2 references

language of work or name

Navitoclax (English)

19 October 2016

matched by identifier from

JLYAXFNOILIKPP-KXQOOQHDSA-N

mapping relation type

reason for deprecated rank

cannot be confirmed by other sources

1 reference

language of work or name

4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[4-[[(2R)-4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide (English)

19 October 2016

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1

1 reference

language of work or name

NAVITOCLAX (English)

19 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JLYAXFNOILIKPP-KXQOOQHDSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

JLYAXFNOILIKPP-KXQOOQHDSA-N

DSSTOX compound identifier

0 references

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

navitoclax (English)

19 October 2016

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

matched by identifier from

JLYAXFNOILIKPP-KXQOOQHDSA-N

2 references

Global Substance Registration System

language of work or name

navitoclax (English)

19 October 2016

matched by identifier from

JLYAXFNOILIKPP-KXQOOQHDSA-N

Probes And Drugs ID

0 references

0 references

0 references

Microsoft Academic ID (discontinued)

0 references

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4QNQ (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4LVT (English)

19 October 2016

subject named as (monolingual text)

navitoclax (Swedish)

navitoklaksi (Finnish)

navitoclax (Northern Sami)

navitoclax (English)

0 references

Sitelinks

Wikipedia(3 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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