Compound Detail

CHEMBL214253

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O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL214253
Phase	Preclinical
Structure Type	MOL
InChI Key	IAUZTOZLTFSMIE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

328.3

MW (Da)

3.58

ALogP

HBA

HBD

82.2

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 14 meas. best 9.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
TRAF2 and NCK-interacting protein kinase CHEMBL4527	IC50	9.15	9.15	0.7	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	7.33	7.33	47.0	3
Wee1-like protein kinase CHEMBL5491	IC50	7.01	7.01	97.0	6
Unchecked CHEMBL612545	IC50	7.01	7.01	97.0	2
Protein kinase C (PKC) CHEMBL2093867	IC50	5.47	5.47	3400.0	1
Cyclin-dependent kinase 4 CHEMBL331	IC50	5.43	5.43	3750.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
TRAF2 and NCK-interacting protein kinase	IC50	=	0.7	nM	9.15	Inhibition of TNIK (unknown origin)	38422698
Serine/threonine-protein kinase Chk1	IC50	=	47.0	nM	7.33	Inhibition at human Chk1 in presence of 4 uM ATP	16884302
Serine/threonine-protein kinase Chk1	IC50	=	47.0	nM	7.33	Inhibition of Chk1	18191399
Serine/threonine-protein kinase Chk1	IC50	=	47.0	nM	7.33	Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot ...	17869387
Wee1-like protein kinase	IC50	=	97.0	nM	7.01	Inhibition of human Wee1 in presence of 9.5 uM ATP	16884302
Wee1-like protein kinase	IC50	=	97.0	nM	7.01	Inhibition of human Wee1	18191399
Unchecked	IC50	=	97.0	nM	7.01	Inhibition of human Wee1 (215-647) expressed in baculovirus	17698256
Unchecked	IC50	=	97.05	nM	7.01	Inhibition of human Wee1 (215-647) expressed in baculovirus	17698256
Wee1-like protein kinase	IC50	=	97.0	nM	7.01	Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphoryl...	17869387
Wee1-like protein kinase	IC50	=	97.0	nM	7.01	Inhibition of human Wee1	18976834
Wee1-like protein kinase	IC50	=	97.72	nM	7.01	Inhibition of human Wee1	18976834
Wee1-like protein kinase	IC50	=	97.0	nM	7.01	Inhibition of Wee1 (unknown origin)	38146659
Protein kinase C (PKC)	IC50	=	3400.0	nM	5.47	Inhibition of PKC	16884302
Cyclin-dependent kinase 4	IC50	=	3750.0	nM	5.43	Inhibition of CDK4	16884302

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
18976834	10.1016/j.ejmech.2008.09.027	Wee1-like protein kinase	2
16884302	10.1021/jm0512591	Unchecked	2
17698256	10.1016/j.ejmech.2007.06.021	Unchecked	2
18191399	10.1016/j.bmcl.2007.12.046	HT-29	1
22257127	10.1021/jm201265f	Protein kinase C delta type	1
22257127	10.1021/jm201265f	Protein kinase C epsilon type	1
38422698	10.1016/j.ejmech.2024.116240	TRAF2 and NCK-interacting protein kinase	1
17869387	10.1016/j.ejmech.2007.07.016	Unchecked	1
17869387	10.1016/j.ejmech.2007.07.016	Serine/threonine-protein kinase Chk1	1
17869387	10.1016/j.ejmech.2007.07.016	Wee1-like protein kinase	1
18191399	10.1016/j.bmcl.2007.12.046	Serine/threonine-protein kinase Chk1	1
18191399	10.1016/j.bmcl.2007.12.046	Wee1-like protein kinase	1
16884302	10.1021/jm0512591	Wee1-like protein kinase	1
16884302	10.1021/jm0512591	Serine/threonine-protein kinase Chk1	1
16884302	10.1021/jm0512591	Protein kinase C (PKC)	1
16884302	10.1021/jm0512591	Proto-oncogene tyrosine-protein kinase Src	1
16884302	10.1021/jm0512591	Platelet-derived growth factor receptor	1
16884302	10.1021/jm0512591	Fibroblast growth factor receptor	1

Data from ChEMBL 36 via Core Engine