Compound Detail
CHEMBL5910176
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O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5
Basic Information
| ChEMBL ID | CHEMBL5910176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOXWKZKLXNZQAO-IEDIZYPTSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.18
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.1
Ki 1 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 10.21 | 10.21 | 0.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.061 | nM | 10.21 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
| Mu-type opioid receptor | IC50 | = | 0.079 | nM | 10.1 | Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ... | - |
Data from ChEMBL 36 via Core Engine