Compound Detail
CHEMBL3350997
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CCCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)CC[C@@]3(C[C@@H]2C(C)(C)O)[C@H]1C5
Basic Information
| ChEMBL ID | CHEMBL3350997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLZSPMBAHRPHRA-KNLIIKEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
3.78
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.23 | 8.23 | 5.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5.9 | nM | 8.23 | Binding affinity (Ki) was determined towards Opioid receptors by competition wit... | 2158564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2158564 | 10.1021/jm00167a031 | No relevant target | 1 |
| 2158564 | 10.1021/jm00167a031 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine