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Compound Detail

CHEMBL150254

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O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL150254
Phase Preclinical
Structure Type MOL
InChI Key YWBFSJUENQCVIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
2.83
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12O5
MW 308.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.62

Activity Summary

Ki 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
Ki 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine