Cycleanine | MMP-AC0039

	Compound Name :	Cycleanine
	Compound Class :	Alkaloids
	Synonyms :	Cycleanine; 518-94-5; (-)-Cycleanine; O-Methylnorcycleanine; Dimethylisochondodendrine; O,O-Dimethylisochondodendrin; O,O-Dimethylisochondrodendrine; Cycleanine (6CI,7CI,8CI);
	Compound Extracted from :	Cycleanine is extracted / reported from 1 Plant(s) of Melghat Flora as below MC001: Cissampelos pareira L.;

	Molecular Formula :	C38H42N2O6
	Molecular Weight :	622.762
	InChi Key :	ANOXEUSGZWSCQL-LOYHVIPDSA-N
	IUPAC :	-
	InChi :	InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
	Hydrogen Bond Donor count :	0
	Hydrogen Bond Acceptor count :	8
	Rotational Bond count :	4
	TPSA :	61.9
	LogP Value :	6.7

	Lipinski Rule of Five :	No
	Ghose Filter :	No
	Veber Filter :	Yes
	Muegge Filter :	No

	PubChem CID :	121313
	Drugbank ID :	-
	Super Natural :	-
	CTD :	C037098
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/12907236

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0039	26-L5	Colon	29.3 µg/ml	-	-	-	11411569
MMP-AC0039	26-L5	Colon	23.1 µg/ml	-	-	-	11411569

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0039	Dox	-	-	Breast adenocarcinoma	MCF7/Ad (P-gp positive)	-	-	-	-	MDR was modulated by Cycleanine, due to the increase of intracellular Dox accumulation; significantly enhanced the cytotoxic effect of Dox or VCR to P-gp positive MCF-7/Adr cell in a dose-dependant manner, but not to their parental sensitive MCF-7 cells and KB cells, which do not overexpress P-gp, and caused the increased intracellular Dox accumulaion in MCF-7/Adr cells, but not in their parental sensitive MCF-7 cells.	10322941

MMP-AC0039 : Cycleanine