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Compound Detail

CHEMBL57855

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

Basic Information

ChEMBL ID CHEMBL57855
Phase Preclinical
Structure Type MOL
InChI Key GNXHZXFHJQWEMB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
4.56
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO6
MW 451.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.80

Activity Summary

EC50 2 meas. best 9.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3T3-L1
CHEMBL614510
 EC50 9.68 9.68 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3T3-L1 EC50 = 0.21 nM 9.68 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
3T3-L1 EC50 = 0.21 nM 9.68 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