Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XV9409EWG4

Structure

InChI Key YEAHTLOYHVWAKW-UHFFFAOYSA-N
Smile COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1
InChI
InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H22O6
Molecular Weight 406.43
AlogP 4.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 78.13
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase mTOR inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -29.44--5.06

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Macular Degeneration 1 D008268 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2141712
DrugBank DB12812
FDA SRS XV9409EWG4
SureChEMBL SCHEMBL290034