Compound Detail

CHEMBL430146

Enter ChEMBL ID:

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

c1ccc2c(c1)c1cc[n+]2Cc2ccc(cc2)C[n+]2ccc(c3ccccc32)NCc2ccc(cc2)CN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL430146
Phase	Preclinical
Structure Type	MOL
InChI Key	HXTIHUXDOFDZHB-UHFFFAOYSA-P

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

494.6

MW (Da)

6.20

ALogP

HBA

HBD

31.8

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Small conductance calcium-activated potassium channel CHEMBL2096673	IC50	7.55	7.55	28.0	2
Rattus norvegicus CHEMBL376	IC50	7.55	7.55	28.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	IC50	=	28.0	nM	7.55	Compound was tested for SKCa blocking action by measuring its ability to inhibit...	9438015
Small conductance calcium-activated potassium channel	IC50	=	28.0	nM	7.55	The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed...	10669569
Small conductance calcium-activated potassium channel	IC50	=	28.0	nM	7.55	Inhibition of after hyperpolarization (AHP) of cultured rat sympathetic neurons ...	15261276

PubMed	DOI	Target Context	# Activities
9438015	10.1021/jm970571a	Rattus norvegicus	2
10669569	10.1021/jm9902537	Small conductance calcium-activated potassium channel	2
15261276	10.1016/j.bmcl.2004.06.011	Small conductance calcium-activated potassium channel	1

Data from ChEMBL 36 via Core Engine