Compound Detail

CHEMBL4763290

Enter ChEMBL ID:

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

CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4763290
Phase	Preclinical
Structure Type	MOL
InChI Key	GBWBRIAGOMFVIA-LBPRGKRZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

404.4

MW (Da)

4.34

ALogP

HBA

HBD

58.6

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bifunctional epoxide hydrolase 2 CHEMBL2409	Ki	8.5	8.5	3.1	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bifunctional epoxide hydrolase 2	Ki	=	3.14	nM	8.5	Inhibition of recombinant human sEH expressed in baculovirus expression system a...	33007552
Bifunctional epoxide hydrolase 2	Ki	=	3.14	nM	8.5	Binding affinity to purified recombinant human sEH by FRET-displacement assay	33550801
Bifunctional epoxide hydrolase 2	Ki	=	3.14	nM	8.5	FRET-displacement assay: FRET assays to determine Ki for the compounds of Table ...	-
Bifunctional epoxide hydrolase 2	Ki	=	3.14	nM	8.5	Assays for Epoxide Hydrolase Activity: Any of a number of standard assays for de...	-

PubMed	DOI	Target Context	# Activities
33007552	10.1016/j.bmc.2020.115735	No relevant target	2
33007552	10.1016/j.bmc.2020.115735	Bifunctional epoxide hydrolase 2	2
33550801	10.1021/acs.jmedchem.0c01886	No relevant target	2
33550801	10.1021/acs.jmedchem.0c01886	Bifunctional epoxide hydrolase 2	2

Data from ChEMBL 36 via Core Engine