Compound Detail
CHEMBL95847
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Basic Information
| ChEMBL ID | CHEMBL95847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIKDBGIHSKQHMV-WTZMOYRQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.28
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 5.62 | 5.62 | 2398.8 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.51 | 5.51 | 3090.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]DADLE from Opioid receptor delta 1 | 11597422 |
| Delta-type opioid receptor | Ki | = | 2398.83 | nM | 5.62 | Binding affinity against Opioid receptor delta 1 from rat brain membranes using ... | 15743203 |
| Kappa-type opioid receptor | Ki | = | 3100.0 | nM | 5.51 | Displacement of [3H]U-69593 from Opioid receptor kappa 1 | 11597422 |
| Kappa-type opioid receptor | Ki | = | 3090.3 | nM | 5.51 | Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes... | 15743203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597422 | 10.1016/s0960-894x(01)00580-7 | Mu-type opioid receptor | 1 |
| 11597422 | 10.1016/s0960-894x(01)00580-7 | Delta-type opioid receptor | 1 |
| 11597422 | 10.1016/s0960-894x(01)00580-7 | Kappa-type opioid receptor | 1 |
| 11597422 | 10.1016/s0960-894x(01)00580-7 | Opioid receptors; mu & delta | 1 |
| 11597422 | 10.1016/s0960-894x(01)00580-7 | Opioid receptors; delta & kappa | 1 |
| 15743203 | 10.1021/jm049117e | Delta-type opioid receptor | 1 |
| 15743203 | 10.1021/jm049117e | Mu-type opioid receptor | 1 |
| 15743203 | 10.1021/jm049117e | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine