Compound Detail
CHEMBL3038191
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CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2NC(=O)/C=C/C(=O)OC)[C@H]1C5
Basic Information
| ChEMBL ID | CHEMBL3038191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPZPICNKLZXHCW-GLJOZLSGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
1.99
ALogP
7
HBA
2
HBD
97.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | EC50 | = | 180.0 | nM | 6.75 | Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptor... | 3023609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3023609 | 10.1021/jm00161a002 | Mus musculus | 3 |
| 3023609 | 10.1021/jm00161a002 | Opioid receptor | 1 |
| 3023609 | 10.1021/jm00161a002 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine