Compound Detail

CHEMBL4287761

Enter ChEMBL ID:

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

CNc1cc(Nc2cc(F)cc(F)c2OC)nn2c(C(=O)NCC(C)(C)CO)cnc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4287761
Phase	Preclinical
Structure Type	MOL
InChI Key	FMPWYORBZHRGIE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.4

MW (Da)

2.55

ALogP

HBA

HBD

112.8

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	IC50	8.22	7.6333	6.0	3
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	7.5	7.5	32.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Non-receptor tyrosine-protein kinase TYK2	IC50	=	6.0	nM	8.22	Displacement of [3H]-(R)-N-(1-(3-(8-methyl-5-(methylamino)-8H-imidazo[4,5-d]thia...	30108788
Non-receptor tyrosine-protein kinase TYK2	IC50	=	30.0	nM	7.52	Inhibition of TYK2 JH2 domain in IFNalpha-stimulated human Kit225 T cells by luc...	30108788
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	32.0	nM	7.5	Displacement of [3H]-c-AMP from His-Tb-tagged human PDE4D2 (86 to 413 residues) ...	30108788
Non-receptor tyrosine-protein kinase TYK2	IC50	=	70.0	nM	7.16	Inhibition of TYK2 JH2 domain in IL23-stimulated human Kit225 T cells by lucifer...	30108788

PubMed	DOI	Target Context	# Activities
30108788	10.1039/C6MD00560H	Non-receptor tyrosine-protein kinase TYK2	3
30108788	10.1039/C6MD00560H	ADMET	3
30108788	10.1039/C6MD00560H	3',5'-cyclic-AMP phosphodiesterase 4D	1

Data from ChEMBL 36 via Core Engine