ENTASOBULIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H18ClN3O2
Molecular Weight	439.893
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=C(CN2C=C(C(=O)C(=O)NC3=CC=C4N=CC=CC4=C3)C5=CC=CC=C25)C=C1

InChI

InChIKey=LJIUXAHLYIPHOK-UHFFFAOYSA-N

InChI=1S/C26H18ClN3O2/c27-19-9-7-17(8-10-19)15-30-16-22(21-5-1-2-6-24(21)30)25(31)26(32)29-20-11-12-23-18(14-20)4-3-13-28-23/h1-14,16H,15H2,(H,29,32)

HIDE SMILES / InChI

Molecular Formula	C26H18ClN3O2
Molecular Weight	439.893
Charge	0
Count

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

Description
Sources: https://adisinsight.springer.com/drugs/800025507 | https://www.pharmacodia.com/yaodu/html/v1/chemicals/c545987fb970f7b1f05c9f2a2f3340dd.html | https://www.ncbi.nlm.nih.gov/pubmed/19578778

Entasobulin (ZEN-012; AEZS-112) is a small molecule with several mechanisms of action, such as DNA fragmentation via inhibition of topoisomerase II as well as inhibition of tubulin polymerization. It exerts antineoplastic activity. It was being developed for the treatment of cancers.

Originator

Approval Year

PubMed

Title	Date	PubMed
Tubulin inhibitor AEZS 112 inhibits the growth of experimental human ovarian and endometrial cancers irrespective of caspase inhibition.	2009 Aug	19578778
Receptors for luteinizing hormone-releasing hormone (GnRH) as therapeutic targets in triple negative breast cancers (TNBC).	2015 Sep	25293576

Patents

Sample Use Guides

In Vitro Use Guide

Entasobulin showed anti-tumor activity in human ovarian and endometrial cancer cell lines at low micromolar concentrations

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:39:08 GMT 2023` Edited by `admin` on `Fri Dec 15 16:39:08 GMT 2023`
Record UNII	TB77GU6BFO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENTASOBULIN

Official Name

English

Entasobulin [WHO-DD]

Common Name

English

2-(1-(4-CHLOROBENZYL)-1H-INDOL-3-YL)-2-OXO-N-CHINOLIN-6-YL-ACETAMIDE

Code

English

2-(1-(4-CHLOROBENZYL)-1H-INDOL-3-YL)-2-OXO-N-QUINOLIN-6-YLACETAMIDE

Systematic Name

English

entasobulin [INN]

Common Name

English

1H-INDOLE-3-ACETAMIDE, 1-((4-CHLOROPHENYL)METHYL)-.ALPHA.-OXO-N-6-QUINOLINYL-

Systematic Name

English

Code System Code Type Description

DRUG BANK

DB06042