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Compound Detail

CHEMBL219932

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N#Cc1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1

Basic Information

ChEMBL ID CHEMBL219932
Phase Preclinical
Structure Type MOL
InChI Key UCAHPLLNYOIPBO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
5.59
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.37
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 C23H22N2O2
MW 358.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.77

Activity Summary

Ki 2 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 7.82 7.82 15.0 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

Data from ChEMBL 36 via Core Engine