Compound Detail

CHEMBL16947

WR-190433

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O=C(/C=C/c1ccccn1)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL16947
Name	WR-190433
Phase	Preclinical
Structure Type	MOL
InChI Key	GYPWVWMVBAKTHW-MDZDMXLPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

209.2

MW (Da)

2.98

ALogP

HBA

HBD

30.0

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.86

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HEK-293T CHEMBL3706568	IC50	4.86	4.86	13800.0	1
Huh-7 CHEMBL614039	IC50	4.84	4.84	14300.0	1
Protein kinase Pfmrk CHEMBL4090	IC50	4.66	4.66	22000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HEK-293T	IC50	=	13800.0	nM	4.86	Antiproliferative activity against human 293T cells after 48 hrs	16970393
Huh-7	IC50	=	14300.0	nM	4.84	Antiproliferative activity against human Huh7 cells after 48 hrs	16970393
Protein kinase Pfmrk	IC50	=	22000.0	nM	4.66	Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia ...	19250824

PubMed	DOI	Target Context	# Activities
12467629	10.1016/s0960-894x(02)00832-6	NON-PROTEIN TARGET	2
19250824	10.1016/j.bmcl.2009.02.042	Plasmodium falciparum	2
16970393	10.1021/jm050761i	Tubulin	1
16970393	10.1021/jm050761i	Huh-7	1
16970393	10.1021/jm050761i	HEK-293T	1
19250824	10.1016/j.bmcl.2009.02.042	Protein kinase Pfmrk	1
19250824	10.1016/j.bmcl.2009.02.042	Unchecked	1
25782744	10.1016/j.bmcl.2015.02.060	Tyrosinase	1

Data from ChEMBL 36 via Core Engine