Compound Detail

CHEMBL403930

MEDICAGENIN

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CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)cc2)c(O)c(CC=C(C)C)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL403930
Name	MEDICAGENIN
Phase	Preclinical
Structure Type	MOL
InChI Key	RWWHVUOFLZULHS-NTEUORMPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

392.5

MW (Da)

5.72

ALogP

HBA

HBD

77.8

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 5.49

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
K562 CHEMBL385	IC50	5.49	5.49	3250.0	1
Unchecked CHEMBL612545	IC50	5.16	5.16	6900.0	1
HUVEC CHEMBL613979	IC50	4.69	4.69	20260.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
K562	IC50	=	3250.0	nM	5.49	Antitumor activity against human K562 cells incubated for 48 hrs by MTT assay	25590864
Unchecked	IC50	=	6900.0	nM	5.16	Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucop...	26351039
HUVEC	IC50	=	20260.0	nM	4.69	Toxicity against HUVEC incubated for 48 hrs by MTT assay	25590864

PubMed	DOI	Target Context	# Activities
25590864	10.1016/j.ejmech.2015.01.007	K562	3
23270565	10.1021/jm300588j	Plasmodium falciparum	2
17112640	10.1016/j.ejmech.2006.09.019	Plasmodium falciparum	1
25590864	10.1016/j.ejmech.2015.01.007	HUVEC	1
26351039	10.1016/j.bmcl.2015.08.059	Unchecked	1

Data from ChEMBL 36 via Core Engine