Compound Detail

CHEMBL320983

Enter ChEMBL ID:

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

O=C1COCC2=C1C(c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL320983
Phase	Preclinical
Structure Type	MOL
InChI Key	BQIRMAHGFFEOTP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

394.2

MW (Da)

2.82

ALogP

HBA

HBD

68.1

PSA (Å²)

0.80

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sulfonylurea receptors; K-ATP channels CHEMBL2095152	EC50	7.57	7.235	26.9	2
Sulfonylurea receptor 2, Kir6.2 CHEMBL2095198	EC50	7.56	7.23	27.5	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sulfonylurea receptors; K-ATP channels	EC50	=	26.92	nM	7.57	Evaluated for K-ATP activity in terms of membrane potential change, through guin...	15163197
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 receptors; K-ATP channels	EC50	=	125.89	nM	6.9	K-ATP activity in terms of stable twitch response through field-stimulated landr...	15163197
Sulfonylurea receptor 2, Kir6.2	EC50	=	125.89	nM	6.9	Activity against pig bladder KATP channel opening assessed as ability to relax f...	17154517

PubMed	DOI	Target Context	# Activities
17154517	10.1021/jm060549u	Sulfonylurea receptor 2, Kir6.2	4
15163197	10.1021/jm030357o	Sulfonylurea receptors; K-ATP channels	2

Data from ChEMBL 36 via Core Engine