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Compound Detail

CHEMBL561376

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CCNC(=O)Oc1ccc(C2=NCCS2)cc1

Basic Information

ChEMBL ID CHEMBL561376
Phase Preclinical
Structure Type MOL
InChI Key YHXTVBRCHGJXPO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.29
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O2S
MW 250.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.68

Activity Summary

IC50 2 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19232787 10.1016/j.ejmech.2009.01.007 Monoglyceride lipase 2
19232787 10.1016/j.ejmech.2009.01.007 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine