MOCETINOSTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20N6O
Molecular Weight	396.4445
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MOCETINOSTAT

Structure Search

SMILES

NC1=C(NC(=O)C2=CC=C(CNC3=NC=CC(=N3)C4=CN=CC=C4)C=C2)C=CC=C1

InChI

InChIKey=HRNLUBSXIHFDHP-UHFFFAOYSA-N

InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)

HIDE SMILES / InChI

Molecular Formula	C23H20N6O
Molecular Weight	396.4445
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 `Sat Dec 16 17:34:19 UTC 2023` Edited by `admin` on `Sat Dec 16 17:34:19 UTC 2023`
Record UNII	A6GWB8T96J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MOCETINOSTAT

Official Name

English

MGCD-0103

Code

English

BENZAMIDE, N-(2-AMINOPHENYL)-4-(((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)METHYL)-

Systematic Name

English

Mocetinostat [WHO-DD]

Common Name

English

mocetinostat [INN]

Common Name

English

N-(2-Aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide

Systematic Name

English

MOCETINOSTAT [USAN]

Common Name

English

MGCD0103

Code

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/07/526

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

FDA ORPHAN DRUG

435414

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

FDA ORPHAN DRUG

441514

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

NCI_THESAURUS

C1946

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID80222945

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

USAN

UU-107

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

ChEMBL

CHEMBL272980

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

SMS_ID

100000141555

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

PUBCHEM

9865515

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

EVMPD

SUB93367

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

NCI_THESAURUS

C62521

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

WIKIPEDIA

MOCETINOSTAT

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

FDA UNII

A6GWB8T96J

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

INN

9086

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

DRUG BANK

DB11830

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

CAS

726169-73-9

Created by admin on Sat Dec 16 17:34:19 UTC 2023 , Edited by admin on Sat Dec 16 17:34:19 UTC 2023

PRIMARY

Related Record Type Details


					IBD7PU4RLC

HISTONE DEACETYLASE 8

TARGET->NON-INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor but with no activity to HDAC8. Phase 2.

Interaction Type:

INHIBITOR

Qualification:

NOT CLINICALLY SIGNIFICANT


					O037NFL7YQ

HISTONE DEACETYLASE 1

TARGET -> INHIBITOR

Comments:

Potent HDAC inhibitor with most potency for HDAC1 in a cell-free assay.

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount:


					RWA84PTK5G

HISTONE DEACETYLASE 5

TARGET->NON-INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor but had no activity to HDAC5. Phase 2.

Interaction Type:

INHIBITOR

Qualification:

NOT CLINICALLY SIGNIFICANT


					M8873UUY31

HISTONE DEACETYLASE 11

TARGET -> INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor with a 2- to 10- fold selectivity against HDAC11. Phase 2.

Interaction Type:

INHIBITOR


					4V9P667Y2G

MOCETINOSTAT DIHYDROBROMIDE

SALT/SOLVATE -> PARENT


					858HMW8EV1

HISTONE DEACETYLASE 7

TARGET->NON-INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor but with no activity to HDAC7. Phase 2.

Interaction Type:

INHIBITOR

Qualification:

NOT CLINICALLY SIGNIFICANT


					KJ1F8SDB3A

HISTONE DEACETYLASE 4

TARGET->NON-INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor but had no activity to HDAC4. Phase 2.

Interaction Type:

INHIBITOR

Qualification:

NOT CLINICALLY SIGNIFICANT


					7YNS2RVD5Q

HISTONE DEACETYLASE 3

TARGET -> INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor with a 2- to 10- fold selectivity against HDAC3. Phase 2.

Interaction Type:

INHIBITOR


					RV2QAE6UDF

HISTONE DEACETYLASE 2

TARGET -> INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor with a 2- to 10- fold selectivity against HDAC2. Phase 2.

Interaction Type:

INHIBITOR


					X6HV7Q6XP4

HISTONE DEACETYLASE 6

TARGET->NON-INHIBITOR

Comments:

Mocetinostat (MGCD0103) is a potent HDAC inhibitor with no activity to HDAC6. Phase 2.

Interaction Type:

INHIBITOR

Qualification:

NOT CLINICALLY SIGNIFICANT

Related Record Type Details


					A6GWB8T96J

ACTIVE MOIETY