Compound Detail
CHEMBL100911
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CCN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL100911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVRPBAYLTRVIMH-KDYSTLNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.67
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 7.24 | 7.24 | 57.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 2.6 | nM | 8.59 | inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogena... | - |
| Mu-type opioid receptor | Ki | = | 57.9 | nM | 7.24 | Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10119-6 | Delta-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Mu-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine