Compound Detail
CHEMBL11285
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CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL11285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOMFYDFQXWRAGC-MAFNXUKGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
4.77
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.35 | 6.35 | 446.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.02 | 6.02 | 946.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 446.0 | nM | 6.35 | Binding affinity of compound for Opioid receptor kappa 1 was determined using [3... | 14761209 |
| Mu-type opioid receptor | Ki | = | 946.0 | nM | 6.02 | Binding affinity of compound for Opioid receptor mu 1 was determined using [3H]D... | 14761209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857089 | 10.1021/jm980511k | Kappa-type opioid receptor | 1 |
| 14761209 | 10.1021/jm030467v | Mu-type opioid receptor | 1 |
| 14761209 | 10.1021/jm030467v | Delta-type opioid receptor | 1 |
| 14761209 | 10.1021/jm030467v | Kappa-type opioid receptor | 1 |
| 14761209 | 10.1021/jm030467v | Opioid receptors; mu & kappa | 1 |
| 14761209 | 10.1021/jm030467v | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine