DOMATINOSTAT

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H21N5O3S
Molecular Weight	447.51
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DOMATINOSTAT

Structure Search

SMILES

CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(\C=C\C(=O)NC4=CC=CC=C4N)=C3

InChI

InChIKey=PRXXYMVLYKJITB-IZZDOVSWSA-N

InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+

HIDE SMILES / InChI

Molecular Formula	C23H21N5O3S
Molecular Weight	447.51
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:02:06 UTC 2023` Edited by `admin` on `Sat Dec 16 11:02:06 UTC 2023`
Record UNII	264ARM7UXX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOMATINOSTAT

Official Name

English

2-PROPENAMIDE, N-(2-AMINOPHENYL)-3-(1-((4-(1-METHYL-1H-PYRAZOL-4-YL)PHENYL)SULFONYL)-1H-PYRROL-3-YL)-, (2E)-

Systematic Name

English

domatinostat [INN]

Common Name

English

(E)-N-(2-AMINOPHENYL)-3-(1-((4-(1-METHYL-1H-PYRAZOL-4-YL)PHENYL)SULFONYL)-1H-PYRROL-3-YL)ACRYLAMIDE

Systematic Name

English

4SC-202

Common Name

English

HDAC INHIBITOR 4SC-202

Common Name

English

Domatinostat [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

NCI_THESAURUS

C1946

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C96797

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

DRUG BANK

DB13101

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

PUBCHEM

15985904

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

SMS_ID

100000181106

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

FDA UNII

264ARM7UXX

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

INN

10700

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

CAS

910462-43-0

Created by admin on Sat Dec 16 11:02:06 UTC 2023 , Edited by admin on Sat Dec 16 11:02:06 UTC 2023

PRIMARY

Related Record Type Details


					RV2QAE6UDF

HISTONE DEACETYLASE 2

TARGET -> INHIBITOR

Comments:

4SC-202 is a selective class I HDAC inhibitor and also displays inhibitory activity against Lysine specific demethylase 1 (LSD1). Phase 1.

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:


					9PW28FR8VD

DOMATINOSTAT TOSYLATE

SALT/SOLVATE -> PARENT

Amount:


					7YNS2RVD5Q

HISTONE DEACETYLASE 3

TARGET -> INHIBITOR

Comments:

4SC-202 is a selective class I HDAC inhibitor and also displays inhibitory activity against Lysine specific demethylase 1 (LSD1). Phase 1.

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:


					O037NFL7YQ

HISTONE DEACETYLASE 1

TARGET -> INHIBITOR

Comments:

4SC-202 is a selective class I HDAC inhibitor and also displays inhibitory activity against Lysine specific demethylase 1 (LSD1). Phase 1.

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:

Related Record Type Details


					264ARM7UXX

ACTIVE MOIETY