Compound Detail

CHEMBL3658869

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Cc1ncc(S(=O)(=O)N[C@H]2C[C@@H](N(C)c3ncnc4[nH]ccc34)C2)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3658869
Phase	Preclinical
Structure Type	MOL
InChI Key	XHRZECXFXFEXHN-PHIMTYICSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

378.5

MW (Da)

1.67

ALogP

HBA

HBD

103.9

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 8.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	8.34	8.34	4.6	2
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	6.29	6.29	512.0	2
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	IC50	6.26	6.26	546.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase JAK1	IC50	=	4.6	nM	8.34	Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re...	-
Tyrosine-protein kinase JAK1	IC50	=	4.6	nM	8.34	Caliper Enzyme Assay: Test article and assay controls were added to a 384-well p...	-
Tyrosine-protein kinase JAK2	IC50	=	512.0	nM	6.29	Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re...	-
Tyrosine-protein kinase JAK2	IC50	=	512.0	nM	6.29	Caliper Enzyme Assay: Test article and assay controls were added to a 384-well p...	-
Non-receptor tyrosine-protein kinase TYK2	IC50	=	546.0	nM	6.26	Enzyme Assay: Test article and assay controls were added to a 384-well plate. Re...	-
Non-receptor tyrosine-protein kinase TYK2	IC50	=	546.0	nM	6.26	Caliper Enzyme Assay: Test article and assay controls were added to a 384-well p...	-

Data from ChEMBL 36 via Core Engine