ABEXINOSTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23N3O5
Molecular Weight	397.4244
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ABEXINOSTAT

Structure Search

SMILES

CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO

InChI

InChIKey=MAUCONCHVWBMHK-UHFFFAOYSA-N

InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)

HIDE SMILES / InChI

Molecular Formula	C21H23N3O5
Molecular Weight	397.4244
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:31 UTC 2023` Edited by `admin` on `Fri Dec 15 18:17:31 UTC 2023`
Record UNII	IYO470654U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ABEXINOSTAT

Official Name

English

S-78454

Code

English

PCI-24781

Code

English

CRA-024781

Code

English

CRA 24781

Code

English

PCI 24781

Code

English

abexinostat [INN]

Common Name

English

ABEXINOSTAT [USAN]

Common Name

English

PZP115891

Code

English

Abexinostat [WHO-DD]

Common Name

English

2-BENZOFURANCARBOXAMIDE, 3-((DIMETHYLAMINO)METHYL)-N-(2-(4-((HYDROXYAMINO)CARBONYL)PHENOXY)ETHYL)-

Systematic Name

English

3-((DIMETHYLAMINO)METHYL)-N-(2-(4-(HYDROXYCARBAMOYL)PHENOXY)ETHYL)-1-BENZOFURAN-2-CARBOXAMIDE

Systematic Name

English

S78454

Code

English

PZP-115891

Code

English

CRA 024781

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1946

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

Code System Code Type Description

USAN

XX-82

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID30229005

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

FDA UNII

IYO470654U

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

CAS

783355-60-2

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

DRUG BANK

DB12565

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

PUBCHEM

11749858

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

NCI_THESAURUS

C68920

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

WIKIPEDIA

ABEXINOSTAT

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

INN

9422

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

SMS_ID

100000174900

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

ChEMBL

CHEMBL2103863

Created by admin on Fri Dec 15 18:17:31 UTC 2023 , Edited by admin on Fri Dec 15 18:17:31 UTC 2023

PRIMARY

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HISTONE DEACETYLASE 3

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Interaction Type:

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Qualification:

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					RV2QAE6UDF

HISTONE DEACETYLASE 2

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					O037NFL7YQ

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Ki

Amount:


					QGV5ZG5741

P-TOLUENESULFONIC ACID

CONSTITUENT ALWAYS PRESENT -> PARENT


					AOH3JC92C0

ABEXINOSTAT TOSYLATE

SALT/SOLVATE -> PARENT


					X6HV7Q6XP4

HISTONE DEACETYLASE 6

TARGET -> INHIBITOR

Comments:

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Interaction Type:

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Qualification:

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					3ADC8Y5OGH

HISTONE DEACETYLASE 10

TARGET -> INHIBITOR

Comments:

Abexinostat (PCI-24781) is a modestly potent inhibitor to HDAC10. Phase 1/2.

Interaction Type:

INHIBITOR

Qualification:

MODERATE

Related Record Type Details


					IYO470654U

ACTIVE MOIETY