Compound Detail

CHEMBL4285837

Enter ChEMBL ID:

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

CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4285837
Phase	Preclinical
Structure Type	MOL
InChI Key	ZANVLEPAQZKAAQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

386.5

MW (Da)

4.45

ALogP

HBA

HBD

87.7

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014	IC50	8.6	7.705	2.5	2
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	4.62	4.62	23990.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-interacting serine/threonine-protein kinase 2	IC50	=	2.5	nM	8.6	Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in ba...	30344914
Receptor-interacting serine/threonine-protein kinase 2	IC50	=	154.0	nM	6.81	Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated...	30344914
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	23990.0	nM	4.62	Inhibition of human ERG expressed in CHO cells by Qpatch clamp assay	30344914

PubMed	DOI	Target Context	# Activities
30344914	10.1021/acsmedchemlett.8b00344	Receptor-interacting serine/threonine-protein kinase 2	2
30344914	10.1021/acsmedchemlett.8b00344	Voltage-gated inwardly rectifying potassium channel KCNH2	1
30344914	10.1021/acsmedchemlett.8b00344	Unchecked	1

Data from ChEMBL 36 via Core Engine