Compound Detail
CHEMBL47001
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Basic Information
| ChEMBL ID | CHEMBL47001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWVYYGDLCBLWGA-KRUMMXJUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.53
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 7.64 | 7.64 | 22.9 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.53 | 5.53 | 2960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 22.9 | nM | 7.64 | Inhibition of binding of [3H]-DPDPE to opioid receptor delta 1 from rat brain me... | 11425550 |
| Mu-type opioid receptor | Ki | = | 2960.0 | nM | 5.53 | Inhibition of binding of [3H]DAMGO to opioid receptor mu 1 from rat brain membra... | 11425550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425550 | 10.1016/s0960-894x(01)00272-4 | Delta-type opioid receptor | 1 |
| 11425550 | 10.1016/s0960-894x(01)00272-4 | Mu-type opioid receptor | 1 |
| 11425550 | 10.1016/s0960-894x(01)00272-4 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine