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Compound Detail

CHEMBL380201

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O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL380201
Phase Preclinical
Structure Type MOL
InChI Key WROGOTHXLJWPOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.48
ALogP
7
HBA
1
HBD
80.9
PSA (Ų)
0.57
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 C15H11FN4O2S
MW 330.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.46

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 7000.0 nM 5.16 Inhibition of Wistar rat brain FAAH 16854070

Literature References

PubMed DOI Target Context # Activities
16854070 10.1021/jm060394q Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine