Compound Detail

CHEMBL215815

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O=C1NC(=O)c2c1c(-c1ccccc1I)cc1[nH]c3ccc(O)cc3c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL215815
Phase	Preclinical
Structure Type	MOL
InChI Key	YLQOGRZRINGNRI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

454.2

MW (Da)

4.18

ALogP

HBA

HBD

82.2

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Wee1-like protein kinase CHEMBL5491	IC50	7.89	7.89	12.9	3
Unchecked CHEMBL612545	IC50	7.89	7.89	13.0	2
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	6.21	6.21	620.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Wee1-like protein kinase	IC50	=	13.0	nM	7.89	Inhibition of human Wee1 in presence of 9.5 uM ATP	16884302
Unchecked	IC50	=	13.0	nM	7.89	Inhibition of human Wee1 (215-647) expressed in baculovirus	17698256
Unchecked	IC50	=	13.0	nM	7.89	Inhibition of human Wee1 (215-647) expressed in baculovirus	17698256
Wee1-like protein kinase	IC50	=	12.88	nM	7.89	Inhibition of human Wee1	18976834
Wee1-like protein kinase	IC50	=	13.0	nM	7.89	Inhibition of human Wee1	18976834
Serine/threonine-protein kinase Chk1	IC50	=	620.0	nM	6.21	Inhibition at human Chk1 in presence of 4 uM ATP	16884302

PubMed	DOI	Target Context	# Activities
17698256	10.1016/j.ejmech.2007.06.021	Unchecked	2
18976834	10.1016/j.ejmech.2008.09.027	Wee1-like protein kinase	2
16884302	10.1021/jm0512591	Unchecked	1
16884302	10.1021/jm0512591	Serine/threonine-protein kinase Chk1	1
16884302	10.1021/jm0512591	Wee1-like protein kinase	1

Data from ChEMBL 36 via Core Engine