Compound Detail
CHEMBL440123
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Basic Information
| ChEMBL ID | CHEMBL440123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLISSJIVMPYVMP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.82
ALogP
3
HBA
2
HBD
48.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.32 | 7.32 | 48.4 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.06 | 6.06 | 862.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 6.3 | nM | 8.2 | Inhibition of [3H]- DADLE binding to Rat brain Opioid receptor delta 1 | 8642567 |
| Mu-type opioid receptor | IC50 | = | 48.4 | nM | 7.32 | Inhibition of [3H]- DAMGO binding to Rat brain Opioid receptor mu 1 | 8642567 |
| Delta-type opioid receptor | IC50 | = | 118.0 | nM | 6.93 | Agonistic activity towards Opioid receptor delta 1 as inhibitory activity toward... | 8642567 |
| Mu-type opioid receptor | IC50 | = | 862.0 | nM | 6.06 | Agonistic activity for Opioid receptor mu 1 as inhibitory activity towards elect... | 8642567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642567 | 10.1021/jm950695s | Mu-type opioid receptor | 2 |
| 8642567 | 10.1021/jm950695s | Delta-type opioid receptor | 2 |
| 8642567 | 10.1021/jm950695s | Unchecked | 2 |
| 8642567 | 10.1021/jm950695s | Kappa-type opioid receptor | 1 |
| 8642567 | 10.1021/jm950695s | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine