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Compound Detail

CHEMBL462177

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CCOc1ccc(C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462177
Phase Preclinical
Structure Type MOL
InChI Key SYGAZOVHPXYSAU-ZHALLVOQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.66
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.74
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 C21H31NO4
MW 361.48
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.43

Activity Summary

EC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 260.0 nM 6.58 Increase in insulin releasing activity in Syrian golden hamster HIT-T15 cells af... 18191001

Literature References

PubMed DOI Target Context # Activities
18191001 10.1016/j.ejmech.2007.11.018 Unchecked 4

Data from ChEMBL 36 via Core Engine