Compound Detail
CHEMBL403062
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Basic Information
| ChEMBL ID | CHEMBL403062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZMUQMGKBXIDMB-PQQGAPLLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
2.48
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2080.0 | nM | 5.68 | Displacement of [3H]etorphine from opioid receptor in rat cerebrum | 17962026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17962026 | 10.1016/j.bmc.2007.10.030 | Mus musculus | 4 |
| 17962026 | 10.1016/j.bmc.2007.10.030 | Unchecked | 1 |
| 17962026 | 10.1016/j.bmc.2007.10.030 | Mu-type opioid receptor | 1 |
| 17962026 | 10.1016/j.bmc.2007.10.030 | Kappa-type opioid receptor | 1 |
| 17962026 | 10.1016/j.bmc.2007.10.030 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine