Compound Detail
CHEMBL3262551
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Basic Information
| ChEMBL ID | CHEMBL3262551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXLZFZXCXBEHHP-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.62
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.99
EC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.99 | 7.99 | 10.2 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 7.14 | 7.14 | 72.2 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 6.72 | 6.72 | 188.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.33 | 6.33 | 467.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.17 | 6.17 | 673.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 10.2 | nM | 7.99 | Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell ... | 24657054 |
| Nociceptin receptor | EC50 | = | 72.2 | nM | 7.14 | Agonist activity at human nociceptin opioid receptor transfected in CHO cell mem... | 24657054 |
| Nociceptin receptor | Ki | = | 188.7 | nM | 6.72 | Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in C... | 24657054 |
| Kappa-type opioid receptor | Ki | = | 467.7 | nM | 6.33 | Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO ... | 24657054 |
| Mu-type opioid receptor | EC50 | = | 673.0 | nM | 6.17 | Agonist activity at human mu opioid receptor transfected in CHO cell membranes a... | 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