Compound Detail

CHEMBL5831374

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CNc1cc(-c2cn([C@H]3CCC[C@@H]3OC)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5831374
Phase	Preclinical
Structure Type	MOL
InChI Key	JHZWMHQIPFJUKJ-WJMWBRGCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

475.6

MW (Da)

2.78

ALogP

HBA

HBD

118.6

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Kd 6 meas. best 9.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Kd	9.22	8.74	0.6	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Non-receptor tyrosine-protein kinase TYK2	Kd	=	0.6	nM	9.22	TYK2 JH2 Domain Binding Assay: Binding constants for compounds of the present in...	-
Non-receptor tyrosine-protein kinase TYK2	Kd	=	0.6	nM	9.22	TYK2 JH2 Domain Binding Assay: Binding constants for compounds against the JH2 d...	-
Non-receptor tyrosine-protein kinase TYK2	Kd	=	0.6	nM	9.22	TYK2 JH2 Domain Binding Assay: Binding constants for compounds of the present in...	-
Non-receptor tyrosine-protein kinase TYK2	Kd	=	5.5	nM	8.26	TYK2 JH2 Domain Binding Assay: Binding constants for compounds of the present in...	-
Non-receptor tyrosine-protein kinase TYK2	Kd	=	5.5	nM	8.26	TYK2 JH2 Domain Binding Assay: Binding constants for compounds against the JH2 d...	-
Non-receptor tyrosine-protein kinase TYK2	Kd	=	5.5	nM	8.26	TYK2 JH2 Domain Binding Assay: Binding constants for compounds of the present in...	-

Data from ChEMBL 36 via Core Engine