Compound Detail
CHEMBL5407881
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Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)[C@@H]1C[C@@]1(C)c1ccccc1)N(C)C
Basic Information
| ChEMBL ID | CHEMBL5407881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJJUNPLLEJOSRF-APTRMMRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.58
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human mu opioid receptor stably transfected in CHO cells by ... | 37414346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37414346 | 10.1016/j.bmcl.2023.129405 | ADMET | 3 |
| 37414346 | 10.1016/j.bmcl.2023.129405 | Mu-type opioid receptor | 2 |
| 37414346 | 10.1016/j.bmcl.2023.129405 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine