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Compound Detail

CHEMBL59372

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

Basic Information

ChEMBL ID CHEMBL59372
Phase Preclinical
Structure Type MOL
InChI Key HSYJCVSKFIYZKH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.69
ALogP
4
HBA
1
HBD
78.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O3
MW 350.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.05

Activity Summary

EC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3T3-L1
CHEMBL614510
 EC50 6.46 6.46 350.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3T3-L1 EC50 = 350.0 nM 6.46 Effective concentration for 50% enhancement of insulin-induced triglyceride accu... 9599241
3T3-L1 EC50 = 350.0 nM 6.46 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