Compound Detail

CHEMBL1684587

Enter ChEMBL ID:

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

CC(C)(C)CCOC(=O)c1ccc(C#CCCC(=O)O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1684587
Phase	Preclinical
Structure Type	MOL
InChI Key	FABMTKINZZUCQP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

302.4

MW (Da)

3.50

ALogP

HBA

HBD

63.6

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.06

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
GABA receptor subunit CHEMBL3986	IC50	7.06	7.06	88.0	1
Unchecked CHEMBL612545	IC50	7.06	6.0675	88.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	88.0	nM	7.06	Displacement of [3H]EBOB from Wistar rat brain membrane GABA receptor by liquid ...	21353542
GABA receptor subunit	IC50	=	88.0	nM	7.06	Displacement of [3H]EBOB from GABA receptor in Musca domestica (house fly) head ...	-
Unchecked	IC50	=	540.0	nM	6.27	Inhibition of GABA receptor-induced currents in Rattus norvegicus (rat) dorsal g...	-
Unchecked	IC50	=	3410.0	nM	5.47	Displacement of [3H]EBOB from housefly head membrane GABA receptor by liquid sci...	21353542
Unchecked	IC50	=	3410.0	nM	5.47	Displacement of [3H]EBOB from GABA receptor in Rattus norvegicus (rat) membrane ...	-

PubMed	DOI	Target Context	# Activities
21353542	10.1016/j.bmcl.2011.01.118	Unchecked	2
-	10.1584/jpestics.29.328	Unchecked	2
-	10.1584/jpestics.29.328	GABA receptor subunit	1

Data from ChEMBL 36 via Core Engine