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Compound Detail

CHEMBL459899

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CCCCOc1ccc(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 CHEMBL459899
Phase Preclinical
Structure Type MOL
InChI Key HGBMFQJSXPXALW-ZJOUEHCJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.44
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35NO4
MW 389.54
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 550.0 nM 6.26 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