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Compound Detail

CHEMBL57181

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

Basic Information

ChEMBL ID CHEMBL57181
Phase Preclinical
Structure Type MOL
InChI Key ZXILSYIHBWBPKO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
3.00
ALogP
5
HBA
2
HBD
115.7
PSA (Ų)
0.54
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 C22H22N2O5
MW 394.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.72

Activity Summary

EC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3T3-L1
CHEMBL614510
 EC50 6.89 6.89 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3T3-L1 EC50 = 130.0 nM 6.89 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
3T3-L1 EC50 = 130.0 nM 6.89 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241

Literature References

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

Data from ChEMBL 36 via Core Engine