Compound Detail
CHEMBL115549
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Basic Information
| ChEMBL ID | CHEMBL115549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUSBDTNJOHWHOM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
3.35
ALogP
9
HBA
1
HBD
129.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.98 | 5.98 | 1050.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 1050.0 | nM | 5.98 | Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand | 11585443 |
| Mu-type opioid receptor | IC50 | = | 1050.0 | nM | 5.98 | Binding affinity against mu opiate receptor | 11585444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585443 | 10.1021/jm010877o | Mu-type opioid receptor | 1 |
| 11585443 | 10.1021/jm010877o | Kappa-type opioid receptor | 1 |
| 11585443 | 10.1021/jm010877o | Delta-type opioid receptor | 1 |
| 11585443 | 10.1021/jm010877o | No relevant target | 1 |
| 11585444 | 10.1021/jm010878g | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine