Compound Detail
CHEMBL303113
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Basic Information
| ChEMBL ID | CHEMBL303113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGLHGFTZZNVMRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.10
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | IC50 | 5.71 | 5.71 | 1967.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.14 | 5.14 | 7267.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 1967.0 | nM | 5.71 | Inhibition of [3H]- DADLE binding to Rat brain Opioid receptor delta 1 | 8642567 |
| Mu-type opioid receptor | IC50 | = | 7267.0 | nM | 5.14 | Inhibition of [3H]- DAMGO binding to Rat brain Opioid receptor mu 1 | 8642567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8642567 | 10.1021/jm950695s | Mu-type opioid receptor | 1 |
| 8642567 | 10.1021/jm950695s | Delta-type opioid receptor | 1 |
| 8642567 | 10.1021/jm950695s | Kappa-type opioid receptor | 1 |
| 8642567 | 10.1021/jm950695s | Opioid receptors; mu & delta | 1 |
| 8642567 | 10.1021/jm950695s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine