Compound Detail
CHEMBL385909
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Basic Information
| ChEMBL ID | CHEMBL385909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFWGDNMHRRUUTG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
3.44
ALogP
3
HBA
2
HBD
64.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.52 | 7.52 | 29.9 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.18 | 5.18 | 6650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 29.9 | nM | 7.52 | Displacement of [3H]DAMGO from rat mu opioid receptor | 16828552 |
| Mu-type opioid receptor | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of e... | 23623418 |
| Delta-type opioid receptor | IC50 | = | 6650.0 | nM | 5.18 | Displacement of [3H]DPDPE from human delta opioid receptor | 16828552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16828552 | 10.1016/j.bmcl.2006.06.040 | Mu-type opioid receptor | 1 |
| 16828552 | 10.1016/j.bmcl.2006.06.040 | Delta-type opioid receptor | 1 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Mu-type opioid receptor | 1 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine