Compound Detail
CHEMBL452839
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Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL452839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MROGXSCYTFKOCB-PRVBGKCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.85
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 120.0 | nM | 6.92 | 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 | Rattus norvegicus | 5 |
| 18191001 | 10.1016/j.ejmech.2007.11.018 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine