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Compound Detail

CHEMBL405880

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N#Cc1cccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)n1

Basic Information

ChEMBL ID CHEMBL405880
Phase Preclinical
Structure Type MOL
InChI Key ILNRAGIQTMVESE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
5.00
ALogP
6
HBA
0
HBD
89.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N3O3
MW 409.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.81

Activity Summary

Ki 1 meas. best 9.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 9.25 9.25 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 0.56 nM 9.25 Inhibition of rat recombinant FAAH expressed in Escherichia coli 18247553

Literature References

PubMed DOI Target Context # Activities
18247553 10.1021/jm701210y Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine