Compound Detail
CHEMBL187225
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COc1ccc2c3c1O[C@H]1C(SC4OC(C(=O)O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
Basic Information
| ChEMBL ID | CHEMBL187225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEYIIJLTOPJEDN-BRDUYFECSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
617.7
MW (Da)
1.85
ALogP
12
HBA
1
HBD
147.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509180 | 10.1021/jm049554t | Unchecked | 9 |
| 15509180 | 10.1021/jm049554t | Opioid receptors; mu & delta | 1 |
| 15509180 | 10.1021/jm049554t | Opioid receptors; mu & kappa | 1 |
Data from ChEMBL 36 via Core Engine