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Compound Detail

CHEMBL58388

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COC(=O)C(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58388
Phase Preclinical
Structure Type MOL
InChI Key XGLZEYNIINWSBM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.17
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.37
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 C25H27NO6
MW 437.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.62

Activity Summary

EC50 2 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3T3-L1
CHEMBL614510
 EC50 7.27 7.27 54.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3T3-L1 EC50 = 54.0 nM 7.27 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
3T3-L1 EC50 = 54.0 nM 7.27 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