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Compound Detail

CHEMBL257893

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CC(C)S(=O)(=O)N1CCC(CCCC(=O)c2ncco2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257893
Phase Preclinical
Structure Type MOL
InChI Key OGOYBGWKIXGGGE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.48
ALogP
5
HBA
0
HBD
80.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2O4S
MW 328.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 140.0 nM 6.85 Inhibition of human FAAH 18289847

Literature References

PubMed DOI Target Context # Activities
18289847 10.1016/j.bmcl.2008.01.091 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine