Compound Detail
CHEMBL39994
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Basic Information
| ChEMBL ID | CHEMBL39994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLGJTNDMPQXWQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
5.76
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.15 | 7.15 | 70.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 34.0 | nM | 7.47 | Inhibition of [3H]DADLE radioligand binding to rat brain opioid receptor delta 1... | 7739011 |
| Mu-type opioid receptor | IC50 | = | 70.6 | nM | 7.15 | Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1. | 7739011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7739011 | 10.1021/jm00009a013 | Mu-type opioid receptor | 1 |
| 7739011 | 10.1021/jm00009a013 | Delta-type opioid receptor | 1 |
| 7739011 | 10.1021/jm00009a013 | Kappa-type opioid receptor | 1 |
| 7739011 | 10.1021/jm00009a013 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine