Compound Detail

CHEMBL3962508

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N#Cc1ccc(Cn2cc(C(=O)C(=O)NCCCCCCOc3ccc(Cl)cc3)c3ccccc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3962508
Phase	Preclinical
Structure Type	MOL
InChI Key	GWAMSTBURNUJCT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

514.0

MW (Da)

6.15

ALogP

HBA

HBD

84.1

PSA (Å²)

0.14

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 7.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.51	6.5613	31.0	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	31.0	nM	7.51	Cytotoxicity against human HONE1 cells assessed as reduction in cell growth afte...	-
NON-PROTEIN TARGET	IC50	=	134.0	nM	6.87	Cytotoxicity against human NUGC3 cells assessed as reduction in cell growth afte...	-
NON-PROTEIN TARGET	IC50	=	200.0	nM	6.7	Cytotoxicity against human HA22T cells assessed as reduction in cell growth afte...	-
NON-PROTEIN TARGET	IC50	=	291.0	nM	6.54	Cytotoxicity against human HR cells assessed as reduction in cell growth after 7...	-
NON-PROTEIN TARGET	IC50	=	412.0	nM	6.38	Cytotoxicity against human MCF7/ADR cells assessed as reduction in cell growth a...	-
NON-PROTEIN TARGET	IC50	=	534.0	nM	6.27	Cytotoxicity against human DLD1 cells assessed as reduction in cell growth after...	-
NON-PROTEIN TARGET	IC50	=	713.0	nM	6.15	Cytotoxicity against human HepG2 cells assessed as reduction in cell growth afte...	-
NON-PROTEIN TARGET	IC50	=	856.0	nM	6.07	Cytotoxicity against human MCF7 cells assessed as reduction in cell growth after...	-

Data from ChEMBL 36 via Core Engine