Compound Detail

CHEMBL214841

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CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL214841
Phase	Preclinical
Structure Type	MOL
InChI Key	WUQIFWCECYQOAM-HUUCEWRRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

422.2

MW (Da)

3.95

ALogP

HBA

HBD

68.1

PSA (Å²)

0.80

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 6 meas. best 7.56

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sulfonylurea receptor 2, Kir6.2 CHEMBL2095198	EC50	7.56	6.6317	27.5	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sulfonylurea receptor 2, Kir6.2	EC50	=	27.54	nM	7.56	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel...	17154517
Sulfonylurea receptor 2, Kir6.2	EC50	=	28.84	nM	7.54	Activity against pig bladder KATP channel opening assessed as ability to relax s...	17154517
Sulfonylurea receptor 2, Kir6.2	EC50	=	154.88	nM	6.81	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel...	17154517
Sulfonylurea receptor 2, Kir6.2	EC50	=	512.86	nM	6.29	Activity against pig bladder KATP channel opening assessed as ability to relax f...	17154517
Sulfonylurea receptor 2, Kir6.2	EC50	=	794.33	nM	6.1	Activity against pig bladder KATP channel opening assessed as ability to relax f...	17154517
Sulfonylurea receptor 2, Kir6.2	EC50	=	3235.94	nM	5.49	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel...	17154517

PubMed	DOI	Target Context	# Activities
17154517	10.1021/jm060549u	Sulfonylurea receptor 2, Kir6.2	15
17154517	10.1021/jm060549u	Rattus norvegicus	14

Data from ChEMBL 36 via Core Engine