Compound Detail

CHEMBL4791451

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4791451
Phase	Preclinical
Structure Type	MOL
InChI Key	YEFYCSKFDBXSSK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

358.4

MW (Da)

4.36

ALogP

HBA

HBD

55.9

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	IC50	7.28	7.28	52.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	IC50	7.23	7.23	59.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	IC50	7.05	7.05	90.0	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	IC50	6.75	6.75	179.0	1
Homeodomain-interacting protein kinase 1 CHEMBL5427	IC50	6.58	6.58	264.0	1
Homeodomain-interacting protein kinase 3 CHEMBL4577	IC50	6.52	6.52	300.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	6.49	6.49	324.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	IC50	=	52.0	nM	7.28	Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometri...	33636538
Dual specificity protein kinase CLK1	IC50	=	59.0	nM	7.23	Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometri...	33636538
Dual specificity protein kinase CLK2	IC50	=	90.0	nM	7.05	Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometr...	33636538
Homeodomain-interacting protein kinase 2	IC50	=	179.0	nM	6.75	Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scin...	33636538
Homeodomain-interacting protein kinase 1	IC50	=	264.0	nM	6.58	Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scin...	33636538
Homeodomain-interacting protein kinase 3	IC50	=	300.0	nM	6.52	Inhibition of human recombinant HIPK3 using myelin substrate by radiometric scin...	33636538
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	324.0	nM	6.49	Inhibition of human full length recombinant DYRK1A using RRRFRPASPLRGPP substrat...	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