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Compound Detail

CHEMBL387376

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O=C(CCCCCCc1ccccc1)c1ncc(-c2cccc(F)c2)o1

Basic Information

ChEMBL ID CHEMBL387376
Phase Preclinical
Structure Type MOL
InChI Key WQCULMFTJFIQCX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
5.86
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FNO2
MW 351.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.71

Activity Summary

Ki 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 7.3 7.3 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17279740 10.1021/jm0611509 Fatty-acid amide hydrolase 1 1
18983142 10.1021/jm800311k Fatty-acid amide hydrolase 1 1
26584396 10.1021/acs.jmedchem.5b01627 Diacylglycerol lipase-alpha 1

Data from ChEMBL 36 via Core Engine