Compound Detail

CHEMBL5561669

Enter ChEMBL ID:

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

Cc1cc(-n2ncc(CN3CCN[C@H](c4ccc5c(c4C)COC5=O)C3)n2)ncc1C#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5561669
Phase	Preclinical
Structure Type	MOL
InChI Key	JVTSOAPPUSBKRI-NRFANRHFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

429.5

MW (Da)

1.97

ALogP

HBA

HBD

109.0

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 7.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATP-sensitive inward rectifier potassium channel 1 CHEMBL1293292	IC50	7.6	7.59	25.0	2
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	4.68	4.68	21000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATP-sensitive inward rectifier potassium channel 1	IC50	=	25.0	nM	7.6	Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 3 to 8 mins ...	38807539
ATP-sensitive inward rectifier potassium channel 1	IC50	=	26.0	nM	7.58	Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 30 mins by t...	38807539
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	21000.0	nM	4.68	Inhibition of human ERG expressed in HEK293 cells incubated for 2 to 5 mins by M...	38807539

PubMed	DOI	Target Context	# Activities
38807539	10.1021/acs.jmedchem.4c00893	ATP-sensitive inward rectifier potassium channel 1	2
38807539	10.1021/acs.jmedchem.4c00893	Voltage-gated inwardly rectifying potassium channel KCNH2	2
38807539	10.1021/acs.jmedchem.4c00893	ADMET	2

Data from ChEMBL 36 via Core Engine