Compound Detail
CHEMBL5900828
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Basic Information
| ChEMBL ID | CHEMBL5900828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNBZDVKYUDPOAM-JWAQMAAHSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
2.76
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.89
IC50 1 meas. best 8.77
Ki 1 meas. best 10.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 10.08 | 10.08 | 0.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.083 | nM | 10.08 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | EC50 | = | 1.3 | nM | 8.89 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | IC50 | = | 1.7 | nM | 8.77 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
Data from ChEMBL 36 via Core Engine