Compound Detail
CHEMBL386990
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Basic Information
| ChEMBL ID | CHEMBL386990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDDHGMFOOKYNHZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.25
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 1030.0 | nM | 5.99 | Displacement of [3H]DAMGO from rat mu opioid receptor | 16828552 |
| Mu-type opioid receptor | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of e... | 23623418 |
| Delta-type opioid receptor | IC50 | = | 8400.0 | nM | 5.08 | 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