ENTINOSTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XH05
UNII: 1ZNY4FKK9H

Structure
InChI Key INVTYAOGFAGBOE-UHFFFAOYSA-N
Smile Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
InChI
InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20N4O3
Molecular Weight 376.42
AlogP 3.34
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 106.34
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Histone deacetylase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 730 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class I
180-1000 0-2000 - 22 44-95
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
1000 233-12589 - - 0
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
1000 233-12589 - - 3
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
1000 233-12589 - - 59-67
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 38
Membrane receptor
- 6000-10000 - - 85-92
Surface antigen
- 6000-10000 - - 85-92
Unclassified protein
- 77-2850 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Kidney Neoplasms 1 D007680 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Glioma 1 D005910 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 209783-80-2
ChEBI 132082
ChEMBL CHEMBL27759
DrugBank DB11841
EPA CompTox DTXSID0041068
FDA SRS 1ZNY4FKK9H
Guide to Pharmacology 7007
PubChem 4261
SureChEMBL SCHEMBL148309
ZINC ZINC000001488870
CONTENTS