Compound Detail

CHEMBL324721

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Nc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL324721
Phase	Preclinical
Structure Type	MOL
InChI Key	ARHBFRMLLOEANX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

535.0

MW (Da)

6.88

ALogP

HBA

HBD

104.4

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
EMT6 CHEMBL614294	IC50	8.89	8.89	1.3	1
UV4 CHEMBL612800	IC50	8.82	8.82	1.5	1
CHO-AA8 CHEMBL614555	IC50	8.7	8.7	2.0	1
SK-OV-3 CHEMBL614925	IC50	8.46	8.46	3.5	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
EMT6	IC50	=	1.3	nM	8.89	Tested for growth inhibition against EMT6 tumor cell line(murine mammary carcino...	10464026
UV4	IC50	=	1.5	nM	8.82	The compound was tested for growth inhibition against UV4 tumor cell line(chines...	10464026
CHO-AA8	IC50	=	2.0	nM	8.7	Tested for growth inhibition against AA8 tumor cell line(chinese hamster ovary).	10464026
SK-OV-3	IC50	=	3.5	nM	8.46	Tested for growth inhibition against SKOV3 tumor cell line(human ovarian).	10464026

PubMed	DOI	Target Context	# Activities
10464026	10.1021/jm990136b	CHO-AA8	1
10464026	10.1021/jm990136b	UV4	1
10464026	10.1021/jm990136b	EMT6	1
10464026	10.1021/jm990136b	SK-OV-3	1

Data from ChEMBL 36 via Core Engine