Compound Detail
CHEMBL4647736
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C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4647736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPJOCKBKVIJGOF-JWCTUAFDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.54
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 6.22 | 6.22 | 606.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 606.0 | nM | 6.22 | Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins... | 32435370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435370 | 10.1021/acsmedchemlett.9b00549 | Mu-type opioid receptor | 1 |
| 32435370 | 10.1021/acsmedchemlett.9b00549 | Delta-type opioid receptor | 1 |
| 32435370 | 10.1021/acsmedchemlett.9b00549 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine