Compound Detail
CHEMBL104310
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Basic Information
| ChEMBL ID | CHEMBL104310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOEVQPWLYUDAHW-FBPXKMNZSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.16
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.26 | 7.26 | 54.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.48 | 6.48 | 334.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 93.8 | nM | - |
| Ke | 243.0 | nM | - |
| Ke | 8922.0 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 23.0 | nM | 7.64 | Binding affinity was evaluated by measuring the ability to displace [3H]U-69593 ... | 7636870 |
| Mu-type opioid receptor | Ki | = | 54.4 | nM | 7.26 | In vivo binding affinity was evaluated by measuring the ability to displace [3H]... | 7636870 |
| Delta-type opioid receptor | Ki | = | 334.0 | nM | 6.48 | In vivo binding affinity was evaluated by measuring the ability to displace [3H]... | 7636870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636870 | 10.1021/jm00016a010 | Mu-type opioid receptor | 2 |
| 7636870 | 10.1021/jm00016a010 | Kappa-type opioid receptor | 2 |
| 7636870 | 10.1021/jm00016a010 | Delta-type opioid receptor | 2 |
| 7636870 | 10.1021/jm00016a010 | Opioid receptors; mu & kappa | 1 |
| 7636870 | 10.1021/jm00016a010 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine