Compound Detail

CHEMBL137175

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c1cc2cc(c1)CNc1cc[n+](c3ccccc13)Cc1ccc(cc1)C[n+]1ccc(c3ccccc31)NC2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL137175
Phase	Preclinical
Structure Type	MOL
InChI Key	CSMFTEKMKIPLLV-MSFSTKLDSA-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 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Small conductance calcium-activated potassium channel CHEMBL2096673	IC50	7.16	7.16	70.0	2
Rattus norvegicus CHEMBL376	IC50	7.16	7.16	70.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	IC50	=	70.0	nM	7.16	Compound was tested for SKCa blocking action by measuring its ability to inhibit...	9438015
Small conductance calcium-activated potassium channel	IC50	=	70.0	nM	7.16	The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed...	10669569
Small conductance calcium-activated potassium channel	IC50	=	70.0	nM	7.16	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