Compound Detail

CHEMBL116575

Enter ChEMBL ID:

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

COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL116575
Phase	Preclinical
Structure Type	MOL
InChI Key	HQOMUDZMZFTCPL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

405.9

MW (Da)

4.89

ALogP

HBA

HBD

71.3

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.08

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
UV4 CHEMBL612800	IC50	9.08	9.08	0.8	1
EMT6 CHEMBL614294	IC50	9.01	9.01	1.0	1
CHO-AA8 CHEMBL614555	IC50	8.89	8.89	1.3	1
SK-OV-3 CHEMBL614925	IC50	8.73	8.73	1.9	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
UV4	IC50	=	0.84	nM	9.08	The compound was tested for growth inhibition against UV4 tumor cell line(chines...	10464026
EMT6	IC50	=	0.98	nM	9.01	Tested for growth inhibition against EMT6 tumor cell line(murine mammary carcino...	10464026
CHO-AA8	IC50	=	1.3	nM	8.89	Tested for growth inhibition against AA8 tumor cell line(chinese hamster ovary).	10464026
SK-OV-3	IC50	=	1.86	nM	8.73	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