Compound Detail

CHEMBL4792639

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COc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4792639
Phase	Preclinical
Structure Type	MOL
InChI Key	OVZPTQXGZKJHGH-XBXARRHUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

370.3

MW (Da)

2.82

ALogP

HBA

HBD

108.1

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.69

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Casein kinase 2 CHEMBL3832943	IC50	6.69	6.69	203.0	1
Casein kinase II subunit alpha CHEMBL3629	IC50	5.86	5.86	1370.0	1
SRSF protein kinase 1 CHEMBL4375	IC50	5.62	5.62	2400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Casein kinase 2	IC50	=	203.0	nM	6.69	Inhibition of human recombinant CK2 in presence of ATP by Kinase-Glo assay	36745746
Casein kinase II subunit alpha	IC50	=	1370.0	nM	5.86	Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escher...	32283296
SRSF protein kinase 1	IC50	=	2400.0	nM	5.62	Inhibition of human recombinant SRPK1 expressed in Escherichia coli in presence ...	36745746

PubMed	DOI	Target Context	# Activities
32283296	10.1016/j.ejmech.2020.112267	Casein kinase II subunit alpha	2
32283296	10.1016/j.ejmech.2020.112267	Unchecked	2
32283296	10.1016/j.ejmech.2020.112267	Jurkat	2
36745746	10.1021/acs.jmedchem.2c01523	SRSF protein kinase 1	1
36745746	10.1021/acs.jmedchem.2c01523	Casein kinase 2	1

Data from ChEMBL 36 via Core Engine