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Compound Detail

CHEMBL367307

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O=C(CCCCCCc1ccccc1)c1ncc(-c2cccnn2)o1

Basic Information

ChEMBL ID CHEMBL367307
Phase Preclinical
Structure Type MOL
InChI Key WZDVHTSFYNUOBY-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
4.51
ALogP
5
HBA
0
HBD
68.9
PSA (Ų)
0.42
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 C20H21N3O2
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.67

Activity Summary

Ki 3 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 8.25 8.25 5.6 1
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.25 8.25 5.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771430 10.1021/jm049614v Fatty-acid amide hydrolase 1 1
18053726 10.1016/j.bmc.2007.11.015 Fatty-acid amide hydrolase 1 1
21764305 10.1016/j.bmcl.2011.06.096 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine