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Compound Detail

CHEMBL5400142

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COc1ccc2c(c1)CC/C(=C\c1ccc(C)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400142
Phase Preclinical
Structure Type MOL
InChI Key XZFPEYQKSLVXMN-LFIBNONCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.22
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O2
MW 278.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.27

Activity Summary

IC50 1 meas.

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