Compound Detail

CHEMBL488899

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O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCn1ccnc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL488899
Phase	Preclinical
Structure Type	MOL
InChI Key	ARBSTLGRZNKZRL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

422.4

MW (Da)

3.95

ALogP

HBA

HBD

89.2

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Wee1-like protein kinase CHEMBL5491	IC50	6.64	6.64	230.0	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	6.6	6.6	250.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	4.57	4.57	27000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Wee1-like protein kinase	IC50	=	230.0	nM	6.64	Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphoryl...	17869387
Serine/threonine-protein kinase Chk1	IC50	=	250.0	nM	6.6	Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot ...	17869387
Proto-oncogene tyrosine-protein kinase Src	IC50	=	27000.0	nM	4.57	Inhibition of c-Src	17869387

PubMed	DOI	Target Context	# Activities
17869387	10.1016/j.ejmech.2007.07.016	Wee1-like protein kinase	1
17869387	10.1016/j.ejmech.2007.07.016	Serine/threonine-protein kinase Chk1	1
17869387	10.1016/j.ejmech.2007.07.016	Unchecked	1
17869387	10.1016/j.ejmech.2007.07.016	Proto-oncogene tyrosine-protein kinase Src	1

Data from ChEMBL 36 via Core Engine