HESPERADIN HYDROCHLORIDE

Possibly Marketed Outside US

First approved in 2009

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H32N4O3S.ClH
Molecular Weight	553.115
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCS(=O)(=O)NC1=CC2=C(NC(=O)\C2=C(/NC3=CC=C(CN4CCCCC4)C=C3)C5=CC=CC=C5)C=C1

InChI

InChIKey=XMYLEXZLFZAOQN-LXCLTORNSA-N

InChI=1S/C29H32N4O3S.ClH/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33;/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34);1H/b28-27-;

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein kinase Aurora-B 28 Target ID: CHEMBL2185 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12707311\|https://www.ncbi.nlm.nih.gov/pubmed/16451062\|https://www.ncbi.nlm.nih.gov/pubmed/26056008	Inhibitor 8297		250.0 nM [IC50]
Mitogen-activated protein kinase kinase kinase 2 3 Target ID: CHEMBL5914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26056008	Inhibitor 8297		60.0 nM [IC50]

PubMed

Title	Date	PubMed
		252160725

Name

Type

Language

HESPERADIN HYDROCHLORIDE

Common Name

English

N-(2,3-DIHYDRO-2-OXO-3-((3Z)-PHENYL)AMINO)METHYLENE)-1H-INDOL-5-YL)-ETHANESULFONAMIDE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

76968689

Created by admin on Sat Dec 16 09:51:46 GMT 2023 , Edited by admin on Sat Dec 16 09:51:46 GMT 2023

PRIMARY

FDA UNII

5JTM1CDL6K

Created by admin on Sat Dec 16 09:51:46 GMT 2023 , Edited by admin on Sat Dec 16 09:51:46 GMT 2023

PRIMARY

PARENT (SALT/SOLVATE)


					PTR491OS14

HESPERADIN

SUBSTANCE RECORD


					5JTM1CDL6K

HESPERADIN HYDROCHLORIDE