Compound Detail
CHEMBL3664541
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Basic Information
| ChEMBL ID | CHEMBL3664541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJOPQLDKLMFOGK-PWVYYVJVSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.34
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.19 | 7.045 | 6.5 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.9 | 5.9 | 1264.0 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 5.89 | 5.89 | 1295.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 6.5 | nM | 8.19 | Binding Assay: Binding assay of certain compounds of this invention to the opioi... | - |
| Kappa-type opioid receptor | Ki | = | 6.5 | nM | 8.19 | Binding Assay: Binding assay of certain compounds of this invention to the opioi... | - |
| Mu-type opioid receptor | Ki | = | 1264.0 | nM | 5.9 | Binding Assay: Binding assay of certain compounds of this invention to the opioi... | - |
| Delta-type opioid receptor | Ki | = | 1264.0 | nM | 5.9 | Binding Assay: Binding assay of certain compounds of this invention to the opioi... | - |
| Opioid growth factor receptor-like protein 1 | Ki | = | 1295.55 | nM | 5.89 | Binding Assay: Binding assay of certain compounds of this invention to the opioi... | - |
Data from ChEMBL 36 via Core Engine