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Compound Detail

CHEMBL1807941

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O=c1c2cccc(F)c2sn1-c1cccc(O)c1

Basic Information

ChEMBL ID CHEMBL1807941
Phase Preclinical
Structure Type MOL
InChI Key CULCLVLIEPNXCD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
2.90
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8FNO2S
MW 261.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
IC50 5.23 5.23 5900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21719283 10.1016/j.bmcl.2011.05.127 Macrophage migration inhibitory factor 1

Data from ChEMBL 36 via Core Engine