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Compound Detail

CHEMBL435405

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O=C1COC(=O)N1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL435405
Phase Preclinical
Structure Type MOL
InChI Key ZWZFFTHXSRRHOU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
1.17
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO3
MW 191.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.92

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3T3-L1
CHEMBL614510
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3T3-L1 EC50 = 10.0 nM 8.0 Concentration required to stimulate glucose uptake in 3T3-L1 adipocytes after 48... 8831756

Literature References

PubMed DOI Target Context # Activities
8831756 10.1021/jm960230h 3T3-L1 1

Data from ChEMBL 36 via Core Engine