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Compound Detail

CHEMBL5433839

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Cc1ccc(/C=C2\CCc3cc(O)ccc3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL5433839
Phase Preclinical
Structure Type MOL
InChI Key GREZWSUITANWEN-XNTDXEJSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.91
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O2
MW 264.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.15

Activity Summary

IC50 2 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
IC50 4.29 4.22 51500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36587420 10.1016/j.ejmech.2022.115050 Macrophage migration inhibitory factor 2

Data from ChEMBL 36 via Core Engine