Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL229483

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CCCCOCc1ccccc1)c1ncc(-c2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL229483
Phase Preclinical
Structure Type MOL
InChI Key YYMQHFDGNJKEDZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.31
ALogP
5
HBA
0
HBD
65.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O3
MW 336.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.85

Activity Summary

Ki 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 7.26 7.26 55.0 1
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17559203 10.1021/jm061414r Fatty-acid amide hydrolase 1 1
18983142 10.1021/jm800311k Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine