fimepinostat   Click here for help

GtoPdb Ligand ID: 8952

Synonyms: CUDC 907 | CUDC-907 | PI3K/HDAC Inhibitor centn
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Fimepinostat (CUDC-907) is an investigational dual inhibitor of histone deacetylase (HDAC) and phosphatidylinositol 3-kinase (PI3K) activity [1]. The compound is orally available.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 166.96
Molecular weight 508.16
XLogP 1.62
No. Lipinski's rules broken 0
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Canonical SMILES ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C
Isomeric SMILES ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10504 fimepinostat
Synonyms Click here for help
CUDC 907 | CUDC-907 | PI3K/HDAC Inhibitor centn
Database Links Click here for help
CAS Registry No. 1339928-25-4 (source: PubChem)
GtoPdb PubChem SID 310264733
PubChem CID 54575456
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