Compound Detail

CHEMBL1242094

Enter ChEMBL ID:

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

CC(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(C/C(C)=C/CCC=C(C)C)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1242094
Phase	Preclinical
Structure Type	MOL
InChI Key	DFQVTVUHSQMYBC-AJMPDFPPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

440.6

MW (Da)

7.48

ALogP

HBA

HBD

77.8

PSA (Å²)

0.19

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HL-60 CHEMBL383	IC50	4.72	4.72	19000.0	1
HT-29 CHEMBL384	IC50	4.7	4.7	20000.0	1
HeLa CHEMBL399	IC50	4.51	4.51	31000.0	1
A549 CHEMBL392	IC50	4.5	4.5	32000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HL-60	IC50	=	19000.0	nM	4.72	Cytotoxicity against human HL60 cells after 72 hrs by XTT assay	20619940
HT-29	IC50	=	20000.0	nM	4.7	Cytotoxicity against human HT-29 cells after 72 hrs by XTT assay	20619940
HeLa	IC50	=	31000.0	nM	4.51	Cytotoxicity against human HeLa cells after 72 hrs by XTT assay	20619940
A549	IC50	=	32000.0	nM	4.5	Cytotoxicity against human A549 cells after 72 hrs by XTT assay	20619940

PubMed	DOI	Target Context	# Activities
20619940	10.1016/j.ejmech.2010.06.025	HeLa	1
20619940	10.1016/j.ejmech.2010.06.025	A549	1
20619940	10.1016/j.ejmech.2010.06.025	HT-29	1
20619940	10.1016/j.ejmech.2010.06.025	HL-60	1

Data from ChEMBL 36 via Core Engine