Compound Detail

CHEMBL3359452

Enter ChEMBL ID:

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

CC(C)Cc1ccc(C(C)C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3359452
Phase	Preclinical
Structure Type	MOL
InChI Key	UJCVXWLSXCRHLZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.5

MW (Da)

4.53

ALogP

HBA

HBD

65.1

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty-acid amide hydrolase 1 CHEMBL2243	IC50	5.3	5.3	5000.0	1
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	5.22	5.22	6000.0	1
Prostaglandin G/H synthase 2 CHEMBL230	IC50	5.0	5.0	10000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty-acid amide hydrolase 1	IC50	=	5000.0	nM	5.3	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate b...	25467164
Transient receptor potential cation channel subfamily V member 1	IC50	=	6000.0	nM	5.22	Inhibition of human TRPV1 overexpressed in BEAS-2B cells assessed as calcium flu...	25467164
Prostaglandin G/H synthase 2	IC50	=	10000.0	nM	5.0	Inhibition of human recombinant COX2 assessed as inhibition of ADHP to fluoresce...	25467164

PubMed	DOI	Target Context	# Activities
25467164	10.1016/j.bmcl.2014.10.064	Fatty-acid amide hydrolase 1	2
25467164	10.1016/j.bmcl.2014.10.064	Prostaglandin G/H synthase 2	2
25467164	10.1016/j.bmcl.2014.10.064	Transient receptor potential cation channel subfamily V member 1	1

Data from ChEMBL 36 via Core Engine