ABEXINOSTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IYO470654U

Structure
InChI Key MAUCONCHVWBMHK-UHFFFAOYSA-N
Smile CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12
InChI
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N3O5
Molecular Weight 397.43
AlogP 2.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 104.04
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Histone deacetylase inhibitor PubMed PubMed PubMed
Primary Target
histone deacetylase 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 148 - 19-20 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 168 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 4-52 - 17-20 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 14 - - -
Unclassified protein
- 148 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Hodgkin Disease 1 D006689 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 783355-60-2
ChEBI 92223
ChEMBL CHEMBL2103863
DrugBank DB12565
EPA CompTox DTXSID30229005
FDA SRS IYO470654U
Guide to Pharmacology 8366
PubChem 11749858
SureChEMBL SCHEMBL444280
ZINC ZINC000006716700
CONTENTS