Compound Detail
CHEMBL3262548
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Basic Information
| ChEMBL ID | CHEMBL3262548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHHKRBWQSBPVHH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.67
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.97
EC50 2 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.97 | 7.97 | 10.6 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 7.96 | 7.96 | 11.1 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.89 | 7.89 | 12.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.63 | 7.63 | 23.4 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 10.6 | nM | 7.97 | Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell ... | 24657054 |
| Nociceptin receptor | Ki | = | 11.1 | nM | 7.96 | Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in C... | 24657054 |
| Kappa-type opioid receptor | Ki | = | 12.82 | nM | 7.89 | Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO ... | 24657054 |
| Mu-type opioid receptor | EC50 | = | 23.4 | nM | 7.63 | Agonist activity at human mu opioid receptor transfected in CHO cell membranes a... | 24657054 |
| Nociceptin receptor | EC50 | = | 82.0 | nM | 7.09 | Agonist activity at human nociceptin opioid receptor transfected in CHO cell mem... | 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 | 3 |
| 24657054 | 10.1016/j.bmc.2014.02.047 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine