Compound Detail

CHEMBL214208

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O=C1NC(=O)c2c1c(-c1cc(O)ccc1Cl)cc1[nH]c3ccc(O)cc3c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL214208
Phase	Preclinical
Structure Type	MOL
InChI Key	JDORIIOXKBBKDW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

378.8

MW (Da)

3.94

ALogP

HBA

HBD

102.4

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Wee1-like protein kinase CHEMBL5491	IC50	7.38	7.38	41.7	3
Unchecked CHEMBL612545	IC50	7.38	7.38	42.0	2
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	5.96	5.96	1100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Wee1-like protein kinase	IC50	=	42.0	nM	7.38	Inhibition of human Wee1 in presence of 9.5 uM ATP	16884302
Unchecked	IC50	=	42.0	nM	7.38	Inhibition of human Wee1 (215-647) expressed in baculovirus	17698256
Unchecked	IC50	=	41.98	nM	7.38	Inhibition of human Wee1 (215-647) expressed in baculovirus	17698256
Wee1-like protein kinase	IC50	=	42.0	nM	7.38	Inhibition of human Wee1	18976834
Wee1-like protein kinase	IC50	=	41.69	nM	7.38	Inhibition of human Wee1	18976834
Serine/threonine-protein kinase Chk1	IC50	=	1100.0	nM	5.96	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