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Compound Detail

CHEMBL551594

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CCCCNC(=O)Oc1cccc(-c2csnn2)c1

Basic Information

ChEMBL ID CHEMBL551594
Phase Preclinical
Structure Type MOL
InChI Key XPGOOWSRJMRHQG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.09
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O2S
MW 277.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 8.16 8.16 6.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19232787 10.1016/j.ejmech.2009.01.007 Fatty-acid amide hydrolase 1 1
19232787 10.1016/j.ejmech.2009.01.007 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine