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Compound Detail

CHEMBL3423122

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CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)nn1-c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3423122
Phase Preclinical
Structure Type MOL
InChI Key KRFJUCACILOBNA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
5.15
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O5
MW 463.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 6.39 6.39 407.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 407.0 nM 6.39 Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate a... 26002335

Literature References

PubMed DOI Target Context # Activities
26002335 10.1016/j.ejmech.2015.04.064 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine