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navitoclax (Q18002993)

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chemical compound

ABT 263
ABT-263
Navitoclax

Language	Label	Description	Also known as
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
2,625 × 1,500; 40 KB

0 references

973.296±0 dalton

1 reference

language of work or name

Navitoclax (English)

19 October 2016

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

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

1 reference

language of work or name

Navitoclax (English)

19 October 2016

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

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

0 references

Sitelinks

Wikipedia(2 entries)

enwiki Navitoclax
ruwiki Навитоклакс

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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