Compound Detail
CHEMBL2371779
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Basic Information
| ChEMBL ID | CHEMBL2371779 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BNLSEGXVNPKOOA-PMACEKPBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
0.43
ALogP
5
HBA
4
HBD
138.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.6
Kd 1 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.6 | 8.225 | 0.2 | 2 |
| Delta-type opioid receptor CHEMBL3222 | Kd | 7.65 | 7.65 | 22.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.25 | nM | 9.6 | Binding affinity for rat Opioid receptor delta 1 | 15267245 |
| Delta-type opioid receptor | Kd | = | 22.39 | nM | 7.65 | Antagonist activity against deltorphin in mouse vas deferens assay | 15267245 |
| Unchecked | Ki | = | 140.0 | nM | 6.85 | Binding affinity for rat Opioid receptor mu 1 | 15267245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267245 | 10.1021/jm040033f | Unchecked | 3 |
| 15267245 | 10.1021/jm040033f | Delta-type opioid receptor | 1 |
| 15267245 | 10.1021/jm040033f | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine