Compound Detail

CHEMBL484529

ISODESACETYLUVARICIN

Enter ChEMBL ID:

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

CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@@H](C)OC3=O)O2)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL484529
Name	ISODESACETYLUVARICIN
Phase	Preclinical
Structure Type	MOL
InChI Key	URLVCROWVOSNPT-JOZNLICQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

606.9

MW (Da)

8.89

ALogP

HBA

HBD

85.2

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HeLa CHEMBL399	IC50	7.89	7.89	13.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.8	7.3	16.0	2
MCF7 CHEMBL387	IC50	7.68	7.68	21.0	1
SGC-7901 CHEMBL614909	IC50	7.08	7.08	84.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HeLa	IC50	=	13.0	nM	7.89	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	19285863
NON-PROTEIN TARGET	IC50	=	16.0	nM	7.8	Cytotoxicity against human SMMC-7541 cells after 72 hrs by MTT assay	19285863
MCF7	IC50	=	21.0	nM	7.68	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	19285863
SGC-7901	IC50	=	84.0	nM	7.08	Cytotoxicity against human SGC7901 cells after 72 hrs by MTT assay	19285863
NON-PROTEIN TARGET	IC50	=	160.0	nM	6.8	Cytotoxicity against human A-5408 cells after 72 hrs by MTT assay	19285863

PubMed	DOI	Target Context	# Activities
19285863	10.1016/j.bmcl.2009.02.105	NON-PROTEIN TARGET	2
19285863	10.1016/j.bmcl.2009.02.105	HeLa	1
19285863	10.1016/j.bmcl.2009.02.105	SGC-7901	1
19285863	10.1016/j.bmcl.2009.02.105	MCF7	1
25582602	10.1016/j.bmcl.2014.12.088	A549	1

Data from ChEMBL 36 via Core Engine