MOCETINOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A6GWB8T96J

Structure
InChI Key HRNLUBSXIHFDHP-UHFFFAOYSA-N
Smile Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1
InChI
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H20N6O
Molecular Weight 396.45
AlogP 3.99
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 105.82
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Histone deacetylase 11 inhibitor PubMed 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
- 570 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 98-950 - 265 80
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 32-68
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 590-600 - - -
Epigenetic regulator Writer Histone acetyltransferase SRC family
- 22 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 30
Unclassified protein
- 45 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hodgkin Disease 2 D006689 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Leiomyosarcoma 2 D007890 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 1 D000077195 ClinicalTrials
Rhabdomyosarcoma 1 D012208 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 726169-73-9
ChEBI 94525
ChEMBL CHEMBL272980
DrugBank DB11830
EPA CompTox DTXSID80222945
FDA SRS A6GWB8T96J
Guide to Pharmacology 7008
PubChem 9865515
SureChEMBL SCHEMBL157027
ZINC ZINC000013986811
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