Compound Detail

CHEMBL192692

Enter ChEMBL ID:

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

CCc1c2c(nc3ccc4occc4c13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL192692
Phase	Preclinical
Structure Type	MOL
InChI Key	KTPWNMZKJKUBIM-DEOSSOPVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

416.4

MW (Da)

3.39

ALogP

HBA

HBD

94.6

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HL-60 CHEMBL383	IC50	9.55	9.55	0.3	1
Unchecked CHEMBL612545	IC50	8.77	8.705	1.7	2
Bel-7402 CHEMBL614279	IC50	8.59	8.59	2.6	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HL-60	IC50	=	0.28	nM	9.55	In-vitro inhibitory concentration for human tumor HL60 cell-line was determined ...	15913996
Unchecked	IC50	=	1.7	nM	8.77	In-vitro inhibitory concentration for human tumor HCT116 cell-line was determine...	15913996
Unchecked	IC50	=	2.3	nM	8.64	In-vitro inhibitory concentration for human tumor HELA cell-line was determined ...	15913996
Bel-7402	IC50	=	2.6	nM	8.59	In-vitro inhibitory concentration for human tumor BEL-7402 cell-line was determi...	15913996

PubMed	DOI	Target Context	# Activities
15913996	10.1016/j.bmcl.2005.04.063	Unchecked	2
15913996	10.1016/j.bmcl.2005.04.063	HL-60	1
15913996	10.1016/j.bmcl.2005.04.063	Bel-7402	1

Data from ChEMBL 36 via Core Engine