DIMETHYLCURCUMIN

Search structure


Synonyms:	ASCJ-9 CHC-004 Dimethylcurcumin Go-Y025 GO-Y-025
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

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
Membrane receptor	-	-	-	-	0

Indications

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

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
ChEMBL	CHEMBL128748
DrugBank	DB06133
EPA CompTox	DTXSID10200352
FDA SRS	D60XLY608D
PubChem	9952605
SureChEMBL	SCHEMBL3487103
ZINC	ZINC000100007120

CONTENTS