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Compound Detail

CHEMBL1807931

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O=c1c2ccc(F)c(F)c2sn1-c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL1807931
Phase Preclinical
Structure Type MOL
InChI Key UMZRVKQZXKWAPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.7
MW (Da)
3.98
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.67
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 C13H6ClF2NOS
MW 297.71
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
IC50 5.25 5.25 5600.0 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