FIMEPINOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3S9RX35S5X

Structure
InChI Key JOWXJLIFIIOYMS-UHFFFAOYSA-N
Smile COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1
InChI
InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24N8O4S
Molecular Weight 508.56
AlogP 2.14
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 138.72
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Histone deacetylase inhibitor PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 185-431 - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 185-431 - - -
Enzyme Transferase
- 39-359 - - -
Enzyme
- 39-359 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class I
126 2-8 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 191-479 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
222 8-674 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 5-1267 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 79500 - - -
Unclassified protein
- 2-3 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 2 D008223 ClinicalTrials
Thyroid Neoplasms 2 D013964 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1339928-25-4
ChEMBL CHEMBL3622533
DrugBank DB11891
EPA CompTox DTXSID90712307
FDA SRS 3S9RX35S5X
Guide to Pharmacology 8952
PubChem 54575456
SureChEMBL SCHEMBL1284705
ZINC ZINC000073488511
CONTENTS