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Compound Detail

CHEMBL4740059

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COc1ccccc1/C=C/C(=O)OCc1cc(=O)c(O)co1

Basic Information

ChEMBL ID CHEMBL4740059
Phase Preclinical
Structure Type MOL
InChI Key JXBILUWOROHWSC-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.11
ALogP
6
HBA
1
HBD
86.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O6
MW 302.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.44

Activity Summary

EC50 1 meas. best 4.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.69 4.69 20600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 20600.0 nM 4.69 Induction of adipogenesis in human AT-MSC assessed as adiponectin secretion in I... 30352713

Literature References

PubMed DOI Target Context # Activities
30352713 10.1016/j.bmc.2018.10.010 Unchecked 5

Data from ChEMBL 36 via Core Engine