Compound Detail
CHEMBL54603
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Basic Information
| ChEMBL ID | CHEMBL54603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YREGMDIGXZOSIF-HBFSDRIKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.88
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 6.72 | 6.72 | 189.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 119.0 | nM | 6.92 | Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand... | 14684324 |
| Nociceptin receptor | Ki | = | 189.0 | nM | 6.72 | Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radiolig... | 14684324 |
| Kappa-type opioid receptor | Ki | = | 227.0 | nM | 6.64 | Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radio... | 14684324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684324 | 10.1016/j.bmcl.2003.09.068 | Nociceptin receptor | 2 |
| 14684324 | 10.1016/j.bmcl.2003.09.068 | Mu-type opioid receptor | 2 |
| 14684324 | 10.1016/j.bmcl.2003.09.068 | Kappa-type opioid receptor | 2 |
| 14684324 | 10.1016/j.bmcl.2003.09.068 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine