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Compound Detail

CHEMBL2313942

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C=CCNC(=S)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL2313942
Phase Preclinical
Structure Type MOL
InChI Key GHQZDCMLRSFSOA-HIFRSBDPSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.65
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O4S
MW 362.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.72

Activity Summary

IC50 3 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.98 5.98 1042.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23287055 10.1016/j.ejmech.2012.11.035 Fatty-acid amide hydrolase 1 2
23287055 10.1016/j.ejmech.2012.11.035 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine