Compound Detail
CHEMBL511691
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Basic Information
| ChEMBL ID | CHEMBL511691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZBPHRWPBOWFLU-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.36
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.85
EC50 2 meas. best 8.38
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.38 | 8.38 | 4.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.02 | 8.02 | 9.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain | 19027293 |
| Kappa-type opioid receptor | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain | 19027293 |
| Mu-type opioid receptor | EC50 | = | 4.2 | nM | 8.38 | Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPga... | 19027293 |
| Kappa-type opioid receptor | EC50 | = | 9.6 | nM | 8.02 | Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GT... | 19027293 |
| Unchecked | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]Naltrindole form delta opioid receptor in guinea pig brain | 19027293 |
| Mu-type opioid receptor | IC50 | = | 150.0 | nM | 6.82 | Activity at human cloned mu opioid receptor expressed in CHO cells assessed as i... | 19027293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Mu-type opioid receptor | 5 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Kappa-type opioid receptor | 5 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Unchecked | 2 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Opioid receptor (mu and kappa) | 1 |
Data from ChEMBL 36 via Core Engine