RESMINOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1578EUB98L

Structure
InChI Key FECGNJPYVFEKOD-VMPITWQZSA-N
Smile CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1
InChI
InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O4S
Molecular Weight 349.41
AlogP 1.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 91.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 43-877 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 72-72 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Sezary Syndrome 2 D012751 ClinicalTrials
Mycosis Fungoides 2 D009182 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 864814-88-0
ChEMBL CHEMBL4296717
DrugBank DB12392
EPA CompTox DTXSID50235587
FDA SRS 1578EUB98L
Guide to Pharmacology 7502
PDB P7D
PubChem 11609955
SureChEMBL SCHEMBL295540
ZINC ZINC000013983495
CONTENTS