Compound Detail

CHEMBL4438893

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O=C(CCl)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4438893
Phase	Preclinical
Structure Type	MOL
InChI Key	CPHOGWQSGAPBLS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

397.6

MW (Da)

3.90

ALogP

HBA

HBD

66.5

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Maver1 CHEMBL4483260	IC50	6.4	6.4	400.0	1
Z-138 CHEMBL4483276	IC50	6.4	6.4	400.0	1
Unchecked CHEMBL612545	IC50	6.4	6.4	400.0	1
Granta-519 CHEMBL4483240	IC50	6.22	6.22	600.0	1
JeKo-1 CHEMBL4296445	IC50	6.16	6.16	700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	400.0	nM	6.4	Antiproliferative activity against human Mino cells assessed as reduction in via...	31229421
Z-138	IC50	=	400.0	nM	6.4	Antiproliferative activity against human Z138 cells assessed as reduction in via...	31229421
Maver1	IC50	=	400.0	nM	6.4	Antiproliferative activity against human Maver1 cells assessed as reduction in v...	31229421
Granta-519	IC50	=	600.0	nM	6.22	Antiproliferative activity against human GRANTA-519 cells assessed as reduction ...	31229421
JeKo-1	IC50	=	700.0	nM	6.16	Antiproliferative activity against human resistant Jeko cells assessed as reduct...	31229421

PubMed	DOI	Target Context	# Activities
31229421	10.1016/j.bmc.2019.06.009	Rec1	30
31229421	10.1016/j.bmc.2019.06.009	Z-138	18
31229421	10.1016/j.bmc.2019.06.009	Unchecked	1
31229421	10.1016/j.bmc.2019.06.009	Granta-519	1
31229421	10.1016/j.bmc.2019.06.009	JeKo-1	1
31229421	10.1016/j.bmc.2019.06.009	Maver1	1

Data from ChEMBL 36 via Core Engine