Compound Detail
CHEMBL107386
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Basic Information
| ChEMBL ID | CHEMBL107386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPHUJOIWOCVSQQ-XJDOXCRVSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
1.58
ALogP
4
HBA
3
HBD
95.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.6
Ki 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.02 | 6.02 | 954.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.383 | nM | 9.42 | Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE | 9301674 |
| Delta-type opioid receptor | Kd | = | 2.512 | nM | 8.6 | Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay | 9301674 |
| Mu-type opioid receptor | Ki | = | 954.9 | nM | 6.02 | Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO | 9301674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301674 | 10.1021/jm9607663 | Delta-type opioid receptor | 3 |
| 9301674 | 10.1021/jm9607663 | Mu-type opioid receptor | 3 |
| 9301674 | 10.1021/jm9607663 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine