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Compound Detail

CHEMBL358206

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Cc1nc(-c2cc3ccc(O)cc3oc2=O)cs1

Basic Information

ChEMBL ID CHEMBL358206
Phase Preclinical
Structure Type MOL
InChI Key MGKNXGCKSSSBOT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.93
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.68
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 C13H9NO3S
MW 259.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.37

Activity Summary

Ki 2 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
Ki 5.68 5.68 2100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11170644 10.1021/jm000386o Macrophage migration inhibitory factor 1
19090668 10.1021/jm801100v Macrophage migration inhibitory factor 1

Data from ChEMBL 36 via Core Engine