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=CC=C2NC(=O)\C(=C(/NC3=CC=C(CN4CCCCC4)C=C3)C5=CC=CC=C5)C2=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

Molecular Formula	C29H32N4O3S
Molecular Weight	516.654
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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 8504		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 8504		60.0 nM [IC50]

PubMed

Title	Date	PubMed
The small molecule Hesperadin reveals a role for Aurora B in correcting kinetochore-microtubule attachment and in maintaining the spindle assembly checkpoint.	2003-04-28	12707311

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:43 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:43 GMT 2025`
Record UNII	5JTM1CDL6K
Record Status	`Validated (UNII)`
Record Version

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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

Preferred Name

English

Code System Code Type Description

PUBCHEM

76968689

Created by admin on Mon Mar 31 22:52:43 GMT 2025 , Edited by admin on Mon Mar 31 22:52:43 GMT 2025

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FDA UNII

5JTM1CDL6K

Created by admin on Mon Mar 31 22:52:43 GMT 2025 , Edited by admin on Mon Mar 31 22:52:43 GMT 2025

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HESPERADIN

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