Compound Detail

CHEMBL375723

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CCOc1cccc2nc3c(nc12)C(=O)c1cnncc1C3=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL375723
Phase	Preclinical
Structure Type	MOL
InChI Key	VAHWWNLOLGHDEX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

306.3

MW (Da)

1.59

ALogP

HBA

HBD

94.9

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SK-MEL-2 CHEMBL614917	IC50	7.82	7.82	15.0	1
XF498 CHEMBL613533	IC50	7.54	7.54	29.0	1
HCT-15 CHEMBL612263	IC50	7.52	7.52	30.0	1
SK-OV-3 CHEMBL614925	IC50	7.5	7.5	32.0	1
A549 CHEMBL392	IC50	7.28	7.28	53.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SK-MEL-2	IC50	=	15.0	nM	7.82	Anticancer activity against human SK-MEL-2 cells after 48 hrs by SRB assay	17070967
XF498	IC50	=	29.0	nM	7.54	Anticancer activity against human XF498 cells after 48 hrs by SRB assay	17070967
HCT-15	IC50	=	30.0	nM	7.52	Anticancer activity against human HCT15 cells after 48 hrs by SRB assay	17070967
SK-OV-3	IC50	=	32.0	nM	7.5	Anticancer activity against human SKOV3 cells after 48 hrs by SRB assay	17070967
A549	IC50	=	53.0	nM	7.28	Anticancer activity against human A549 cells after 48 hrs by SRB assay	17070967

PubMed	DOI	Target Context	# Activities
17070967	10.1016/j.ejmech.2006.09.007	A549	1
17070967	10.1016/j.ejmech.2006.09.007	SK-OV-3	1
17070967	10.1016/j.ejmech.2006.09.007	SK-MEL-2	1
17070967	10.1016/j.ejmech.2006.09.007	XF498	1
17070967	10.1016/j.ejmech.2006.09.007	HCT-15	1

Data from ChEMBL 36 via Core Engine