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Compound Detail

CHEMBL210592

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CC(C)(C)COC(=O)CC1CC(c2ccc(O)cc2)=NO1

Basic Information

ChEMBL ID CHEMBL210592
Phase Preclinical
Structure Type MOL
InChI Key QJZAHLWVHDDSFE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
2.86
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.87
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 C16H21NO4
MW 291.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.35

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL1926491
IC50 5.82 5.82 1500.0 1
Macrophage migration inhibitory factor
CHEMBL2085
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16682188 10.1016/j.bmcl.2006.04.038 Macrophage migration inhibitory factor 1

Data from ChEMBL 36 via Core Engine