Compound Detail

CHEMBL5919378

Enter ChEMBL ID:

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

CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5919378
Phase	Preclinical
Structure Type	MOL
InChI Key	RQWYKHCDJZCFGW-XMMISQBUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

487.6

MW (Da)

4.52

ALogP

HBA

HBD

113.9

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 10.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991	IC50	10.0	10.0	0.1	1
Tyrosine-protein kinase JAK2 CHEMBL2971	IC50	9.0	9.0	1.0	1
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	7.84	7.84	14.5	1
Tyrosine-protein kinase JAK1 CHEMBL2835	IC50	7.61	7.61	24.4	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	IC50	7.41	7.41	39.0	1
Rho-associated protein kinase 2 CHEMBL2973	IC50	5.74	5.74	1830.0	1
Rho-associated protein kinase 1 CHEMBL3231	IC50	5.44	5.44	3650.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Inhibitor of nuclear factor kappa-B kinase subunit beta	IC50	=	0.1	nM	10.0	ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st...	-
Tyrosine-protein kinase JAK2	IC50	=	1.0	nM	9.0	JAK Kinase Assays: Compounds were prepared in the exact same manner as described...	-
Tyrosine-protein kinase JAK3	IC50	=	14.5	nM	7.84	JAK Kinase Assays: Compounds were prepared in the exact same manner as described...	-
Tyrosine-protein kinase JAK1	IC50	=	24.4	nM	7.61	JAK Kinase Assays: Compounds were prepared in the exact same manner as described...	-
Non-receptor tyrosine-protein kinase TYK2	IC50	=	39.0	nM	7.41	JAK Kinase Assays: Compounds were prepared in the exact same manner as described...	-
Rho-associated protein kinase 2	IC50	=	1830.0	nM	5.74	ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st...	-
Rho-associated protein kinase 1	IC50	=	3650.0	nM	5.44	ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st...	-

Data from ChEMBL 36 via Core Engine