Compound Detail

CHEMBL4204424

Enter ChEMBL ID:

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

O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4204424
Phase	Preclinical
Structure Type	MOL
InChI Key	FOCCPJOEDPOJRP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

455.5

MW (Da)

6.38

ALogP

HBA

HBD

54.5

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 9.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.52	9.46	0.3	2
Fatty-acid amide hydrolase 1 CHEMBL2243	IC50	9.22	9.22	0.6	1
Fatty-acid amide hydrolase 1 CHEMBL3229	IC50	8.36	8.36	4.4	1
Fatty-acid amide hydrolase 1 CHEMBL3455	IC50	7.92	7.92	12.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.3	nM	9.52	Inhibition of FAAH in horse brain microsomes using OMP substrate by fluorescence...	29366648
Unchecked	IC50	=	0.4	nM	9.4	Inhibition of FAAH in dog brain microsomes using OMP substrate by fluorescence b...	29366648
Fatty-acid amide hydrolase 1	IC50	=	0.6	nM	9.22	Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fr...	29366648
Fatty-acid amide hydrolase 1	IC50	=	4.4	nM	8.36	Inhibition of FAAH in rat brain microsomes using OMP substrate by fluorescence b...	29366648
Fatty-acid amide hydrolase 1	IC50	=	12.0	nM	7.92	Inhibition of FAAH in mouse brain microsomes using OMP substrate by fluorescence...	29366648

PubMed	DOI	Target Context	# Activities
29366648	10.1016/j.bmcl.2018.01.003	Unchecked	6
29366648	10.1016/j.bmcl.2018.01.003	Fatty-acid amide hydrolase 1	5
29366648	10.1016/j.bmcl.2018.01.003	Bifunctional epoxide hydrolase 2	1

Data from ChEMBL 36 via Core Engine