Compound Detail

CHEMBL3182961

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1CC(N2CCOC(OC)C2)C(O)C(C)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3182961
Phase	Preclinical
Structure Type	MOL
InChI Key	CTMCWCONSULRHO-WQKZQJHCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

643.6

MW (Da)

0.35

ALogP

HBA

HBD

201.8

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.0	8.5	1.0	10

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1.0	nM	9.0	PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	1.0	nM	9.0	PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (...	-
Unchecked	IC50	=	1.0	nM	9.0	PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	1.0	nM	9.0	PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf...	-
Unchecked	IC50	=	1.0	nM	9.0	PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ...	-
Unchecked	IC50	=	3.0	nM	8.52	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de...	-
Unchecked	IC50	=	4.68	nM	8.33	PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator...	-
Unchecked	IC50	=	11.76	nM	7.93	PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ...	-
Unchecked	IC50	=	13.5	nM	7.87	PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce...	-
Unchecked	IC50	=	44.22	nM	7.35	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi...	-

Data from ChEMBL 36 via Core Engine