Compound Detail
CHEMBL1907858
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Basic Information
| ChEMBL ID | CHEMBL1907858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBOAHBVXCYBKLC-QFIPXVFZSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.87
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.28
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 9.28 | 8.99 | 0.5 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.23 | 8.065 | 5.9 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 0.52 | nM | 9.28 | Displacement of [3H]-orphanin FQ from human nociceptin opioid receptor expressed... | 26878436 |
| Nociceptin receptor | Ki | = | 1.995 | nM | 8.7 | Displacement of [3H]-orphanin FQ from human OrphaninFQ (hOFQ) receptor | 10476866 |
| Mu-type opioid receptor | Ki | = | 5.9 | nM | 8.23 | Displacement of [3H]-naloxone from human mu opioid receptor expressed in HEK293 ... | 26878436 |
| Mu-type opioid receptor | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]naloxone from human mu opioid receptor | 10476866 |
| Kappa-type opioid receptor | Ki | = | 25.12 | nM | 7.6 | Displacement of [3H]naloxone from human kappa opioid receptor | 10476866 |
| Nociceptin receptor | EC50 | = | 39.8 | nM | 7.4 | Agonist activity at human nociceptin opioid receptor expressed in HEK293 cell me... | 26878436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26878436 | 10.1021/acs.jmedchem.5b01499 | Nociceptin receptor | 2 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Nociceptin receptor | 1 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Mu-type opioid receptor | 1 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Kappa-type opioid receptor | 1 |
| 10476866 | 10.1016/s0960-894x(99)00385-6 | Delta-type opioid receptor | 1 |
| 26878436 | 10.1021/acs.jmedchem.5b01499 | Unchecked | 1 |
| 26878436 | 10.1021/acs.jmedchem.5b01499 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine