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Compound Detail

CHEMBL220571

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NS(=O)(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)cc1

Basic Information

ChEMBL ID CHEMBL220571
Phase Preclinical
Structure Type MOL
InChI Key HJWOQYUOVBMTHU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.36
ALogP
5
HBA
1
HBD
103.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O4S
MW 412.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.71

Activity Summary

Ki 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 8.0 8.0 10.0 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