DIMETHYLCURCUMIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D60XLY608D

Structure
InChI Key ZMGUKFHHNQMKJI-CIOHCNBKSA-N
Smile COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
InChI
InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24O6
Molecular Weight 396.44
AlogP 4.46
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 74.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
DEGRADER Androgen Receptor degrader
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 100000 - - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - - 0
Enzyme Transferase
- - - - 21.93
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.99-4.07
Membrane receptor
- - - - 0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 2 D000152 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL128748
DrugBank DB06133
EPA CompTox DTXSID10200352
FDA SRS D60XLY608D
PubChem 6477182
SureChEMBL SCHEMBL3487103
ZINC ZINC000100007120
CONTENTS