Compound Detail

CHEMBL4789373

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c1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4789373
Phase	Preclinical
Structure Type	MOL
InChI Key	JOZUGIHTSIWTIK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

351.4

MW (Da)

5.48

ALogP

HBA

HBD

54.7

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.45

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	IC50	6.45	6.45	355.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	IC50	6.35	6.35	450.0	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	IC50	6.32	6.32	484.0	1
Homeodomain-interacting protein kinase 1 CHEMBL5427	IC50	6.04	6.04	921.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	IC50	5.73	5.73	1845.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	IC50	=	355.0	nM	6.45	Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometri...	33636538
Dual specificity protein kinase CLK1	IC50	=	450.0	nM	6.35	Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometri...	33636538
Homeodomain-interacting protein kinase 2	IC50	=	484.0	nM	6.32	Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scin...	33636538
Homeodomain-interacting protein kinase 1	IC50	=	921.0	nM	6.04	Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scin...	33636538
Dual specificity protein kinase CLK2	IC50	=	1845.0	nM	5.73	Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometr...	33636538

PubMed	DOI	Target Context	# Activities
33636538	10.1016/j.ejmech.2021.113299	Dual specificity protein kinase CLK1	1
33636538	10.1016/j.ejmech.2021.113299	Dual specificity protein kinase CLK2	1
33636538	10.1016/j.ejmech.2021.113299	Dual specificity protein kinase CLK3	1
33636538	10.1016/j.ejmech.2021.113299	Dual specificity protein kinase CLK4	1
33636538	10.1016/j.ejmech.2021.113299	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	1
33636538	10.1016/j.ejmech.2021.113299	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	1
33636538	10.1016/j.ejmech.2021.113299	Dual specificity tyrosine-phosphorylation-regulated kinase 2	1
33636538	10.1016/j.ejmech.2021.113299	Homeodomain-interacting protein kinase 1	1
33636538	10.1016/j.ejmech.2021.113299	Homeodomain-interacting protein kinase 2	1
33636538	10.1016/j.ejmech.2021.113299	Homeodomain-interacting protein kinase 3	1

Data from ChEMBL 36 via Core Engine