Compound Detail

CHEMBL3298140

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COc1cccc2onc(NCC(C)(C)c3ccccc3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3298140
Phase	Preclinical
Structure Type	MOL
InChI Key	FRLKYVJLDPLCNR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

296.4

MW (Da)

4.23

ALogP

HBA

HBD

47.3

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium voltage-gated channel subfamily A member 5 CHEMBL4306	IC50	7.37	7.37	43.0	2

Parameter	Value	Units	Species
CL	22.0	mL.min-1.kg-1	Rattus norvegicus
T1/2	2.4	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium voltage-gated channel subfamily A member 5	IC50	=	43.0	nM	7.37	Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition o...	24881565
Potassium voltage-gated channel subfamily A member 5	IC50	=	43.0	nM	7.37	Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ...	25801931

PubMed	DOI	Target Context	# Activities
24881565	10.1016/j.bmcl.2014.05.035	Rattus norvegicus	3
24881565	10.1016/j.bmcl.2014.05.035	Oryctolagus cuniculus	2
25801931	10.1016/j.bmcl.2015.02.066	Liver microsome	2
24881565	10.1016/j.bmcl.2014.05.035	Molecular identity unknown	1
24881565	10.1016/j.bmcl.2014.05.035	Plasma	1
24881565	10.1016/j.bmcl.2014.05.035	Potassium voltage-gated channel subfamily A member 5	1
24881565	10.1016/j.bmcl.2014.05.035	ADMET	1
25801931	10.1016/j.bmcl.2015.02.066	ADMET	1
25801931	10.1016/j.bmcl.2015.02.066	Potassium voltage-gated channel subfamily A member 5	1

Data from ChEMBL 36 via Core Engine