Compound Detail

CHEMBL3883803

Enter ChEMBL ID:

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

c1ccc(Cn2cc3c(c2)-c2oncc2CC3)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3883803
Phase	Preclinical
Structure Type	MOL
InChI Key	FCEPTYLBEZWNAC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

250.3

MW (Da)

3.29

ALogP

HBA

HBD

31.0

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.16	5.2575	690.0	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	690.0	nM	6.16	Cytotoxicity against human MP8 cells assessed as growth inhibition after 72 hrs ...	27643641
NON-PROTEIN TARGET	IC50	=	790.0	nM	6.1	Cytotoxicity against human STO cells assessed as growth inhibition after 72 hrs ...	27643641
NON-PROTEIN TARGET	IC50	=	5140.0	nM	5.29	Cytotoxicity against human JR8 cells assessed as growth inhibition after 72 hrs ...	27643641
NON-PROTEIN TARGET	IC50	=	6880.0	nM	5.16	Cytotoxicity against human M14 cells assessed as growth inhibition after 72 hrs ...	27643641
NON-PROTEIN TARGET	IC50	=	11260.0	nM	4.95	Cytotoxicity against human MCF7 cells assessed as growth inhibition after 72 hrs...	27643641
NON-PROTEIN TARGET	IC50	=	13470.0	nM	4.87	Cytotoxicity against human PC3 cells assessed as growth inhibition after 72 hrs ...	27643641
NON-PROTEIN TARGET	IC50	=	15190.0	nM	4.82	Cytotoxicity against human DU145 cells assessed as growth inhibition after 72 hr...	27643641
NON-PROTEIN TARGET	IC50	=	19640.0	nM	4.71	Cytotoxicity against human MDA-MB-231 cells assessed as growth inhibition after ...	27643641

PubMed	DOI	Target Context	# Activities
27643641	10.1016/j.ejmech.2016.09.013	NON-PROTEIN TARGET	10

Data from ChEMBL 36 via Core Engine