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Compound Detail

CHEMBL57534

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Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57534
Phase Preclinical
Structure Type MOL
InChI Key JBKCNYIGGZDDPC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
3.60
ALogP
5
HBA
2
HBD
109.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO6
MW 395.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.69

Activity Summary

EC50 2 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3T3-L1
CHEMBL614510
 EC50 8.36 8.36 4.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3T3-L1 EC50 = 4.4 nM 8.36 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
3T3-L1 EC50 = 4.4 nM 8.36 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241

Literature References

PubMed DOI Target Context # Activities
9599241 10.1021/jm970771m Mus musculus 4
9599241 10.1021/jm970771m 3T3-L1 2

Data from ChEMBL 36 via Core Engine