Compound Detail
CHEMBL308128
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Basic Information
| ChEMBL ID | CHEMBL308128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HICLVBHTXPRGHR-PXNSSMCTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.82
ALogP
4
HBA
3
HBD
86.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.38 | 6.38 | 421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 2.0 | nM | 8.7 | Binding affinity at cloned human delta-opioid receptor | 11448220 |
| Mu-type opioid receptor | IC50 | = | 421.0 | nM | 6.38 | Binding affinity at cloned human mu-opioid receptor | 11448220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11448220 | 10.1021/jm015532k | Delta-type opioid receptor | 2 |
| 11448220 | 10.1021/jm015532k | Mu-type opioid receptor | 2 |
| 11448220 | 10.1021/jm015532k | Kappa-type opioid receptor | 1 |
| 11448220 | 10.1021/jm015532k | Opioid receptors; mu & delta | 1 |
| 11448220 | 10.1021/jm015532k | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine