Compound Detail
CHEMBL2408010
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Basic Information
| ChEMBL ID | CHEMBL2408010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXAGYENDHOXBOY-RBUKOAKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
1.32
ALogP
4
HBA
3
HBD
109.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 3.8 | nM | 8.42 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in human/mouse H... | 24648867 |
| Delta-type opioid receptor | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in human/mo... | 24648867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24648867 | 10.1021/ml400115n | Unchecked | 1 |
| 24648867 | 10.1021/ml400115n | Mu-type opioid receptor | 1 |
| 24648867 | 10.1021/ml400115n | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine