Compound Detail
CHEMBL459898
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CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL459898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYXKPHUMITWZRM-FIXSFTCYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
4.84
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1050.0 | nM | 5.98 | 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