Compound Detail
CHEMBL318859
ENADOLINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL318859 |
| Name | ENADOLINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JMBYBVLCYODBJQ-HFMPRLQTSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
2
Known Names
Molecular Properties
396.5
MW (Da)
4.00
ALogP
4
HBA
0
HBD
45.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 4 meas. best 10.0
EC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.57 | 9.57 | 0.3 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.06 | 7.06 | 87.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.1 | nM | 10.0 | Compound was evaluated for the inhibition of binding of [3H]U-69593 to cloned ra... | - |
| Kappa-type opioid receptor | Ki | = | 0.27 | nM | 9.57 | Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CH... | 14613319 |
| Kappa-type opioid receptor | EC50 | = | 3.3 | nM | 8.48 | Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically sti... | - |
| Mu-type opioid receptor | Ki | = | 22.0 | nM | 7.66 | Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) ... | 14613319 |
| Mu-type opioid receptor | Ki | = | 87.4 | nM | 7.06 | Compound was evaluated for the inhibition of binding of [3H]DAGO to rat brain mu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822548 | 10.1021/jm9803166 | Kappa-type opioid receptor | 11 |
| - | 10.1016/S0960-894X(96)00615-4 | Mus musculus | 3 |
| 16033256 | 10.1021/jm048963m | Mus musculus | 3 |
| - | 10.1016/S0960-894X(96)00615-4 | Kappa-type opioid receptor | 2 |
| - | 10.1016/S0960-894X(96)00615-4 | No relevant target | 2 |
| 14613319 | 10.1021/jm030139v | Mu-type opioid receptor | 1 |
| 14613319 | 10.1021/jm030139v | Delta-type opioid receptor | 1 |
| 14613319 | 10.1021/jm030139v | Kappa-type opioid receptor | 1 |
| 14613319 | 10.1021/jm030139v | Opioid receptors; mu & kappa | 1 |
| 14613319 | 10.1021/jm030139v | Opioid receptors; delta & kappa | 1 |
| - | 10.1016/S0960-894X(96)00615-4 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine