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Compound Detail

CHEMBL2178858

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Oc1ccc(-c2cc(Oc3cccc(O)c3)ccn2)cc1

Basic Information

ChEMBL ID CHEMBL2178858
Phase Preclinical
Structure Type MOL
InChI Key ZQHIMKOUCTWMPM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.95
ALogP
4
HBA
2
HBD
62.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO3
MW 279.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.18

Activity Summary

Ki 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor homologue
CHEMBL2176864
Ki 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23067344 10.1021/jm301269s Macrophage migration inhibitory factor homologue 1

Data from ChEMBL 36 via Core Engine