Compound Detail
CHEMBL2387334
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Basic Information
| ChEMBL ID | CHEMBL2387334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZHRPPAWFBZUEC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.02
ALogP
4
HBA
0
HBD
60.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 ... | 23623418 |
| Delta-type opioid receptor | Ki | = | 13000.0 | nM | 4.89 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN... | 23623418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Mu-type opioid receptor | 2 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine