Compound Detail

CHEMBL5417524

Enter ChEMBL ID:

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

NC(=O)c1ccn(-c2cccc(OC(=O)N3CCN(CCCc4ccccc4)CC3)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5417524
Phase	Preclinical
Structure Type	MOL
InChI Key	WOIODDPGMPPVSP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

432.5

MW (Da)

3.33

ALogP

HBA

HBD

80.8

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 2 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty-acid amide hydrolase 1 CHEMBL2243	IC50	8.0	8.0	10.1	1
NIH3T3 CHEMBL614822	IC50	4.34	4.34	46000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty-acid amide hydrolase 1	IC50	=	10.1	nM	8.0	Inhibition of human recombinant FAAH using AMC-AA as substrate preincubated for ...	36462439
NIH3T3	IC50	=	46000.0	nM	4.34	Cytotoxicity against mouse NIH3T3 cells assessed as inhibition of cell growth me...	36462439

PubMed	DOI	Target Context	# Activities
36462439	10.1016/j.ejmech.2022.114952	ADMET	21
36462439	10.1016/j.ejmech.2022.114952	1321N1	7
36462439	10.1016/j.ejmech.2022.114952	No relevant target	4
36462439	10.1016/j.ejmech.2022.114952	Hippocampus	2
36462439	10.1016/j.ejmech.2022.114952	Fatty-acid amide hydrolase 1	1
36462439	10.1016/j.ejmech.2022.114952	Monoglyceride lipase	1
36462439	10.1016/j.ejmech.2022.114952	NIH3T3	1
36462439	10.1016/j.ejmech.2022.114952	Cannabinoid receptor 1	1
36462439	10.1016/j.ejmech.2022.114952	Cannabinoid receptor 2	1

Data from ChEMBL 36 via Core Engine