Compound Detail
CHEMBL3262545
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Basic Information
| ChEMBL ID | CHEMBL3262545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPIVGIRSGLBSJH-CDGYUGKQSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
5.95
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.84
EC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.84 | 8.84 | 1.5 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 7.39 | 7.39 | 40.9 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.09 | 7.09 | 81.4 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.74 | 6.74 | 184.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.46 | nM | 8.84 | Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell ... | 24657054 |
| Nociceptin receptor | Ki | = | 2.99 | nM | 8.52 | Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in C... | 24657054 |
| Nociceptin receptor | EC50 | = | 40.9 | nM | 7.39 | Agonist activity at human nociceptin opioid receptor transfected in CHO cell mem... | 24657054 |
| Mu-type opioid receptor | EC50 | = | 81.4 | nM | 7.09 | Agonist activity at human mu opioid receptor transfected in CHO cell membranes a... | 24657054 |
| Kappa-type opioid receptor | Ki | = | 184.0 | nM | 6.74 | Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO ... | 24657054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24657054 | 10.1016/j.bmc.2014.02.047 | Nociceptin receptor | 3 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Mu-type opioid receptor | 3 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Kappa-type opioid receptor | 1 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine