Compound Detail
CHEMBL423481
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C[C@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)N[C@@H](C)[C@@H]1CC[C@@H](O)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL423481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPYQDMBJZJZFQL-LLZYVPLJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
5.24
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor CHEMBL2111385 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
| Mus musculus CHEMBL375 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor | IC50 | = | 0.46 | nM | 9.34 | Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding ... | 1732519 |
| Mus musculus | IC50 | = | 2.3 | nM | 8.64 | In vitro inhibition of electrically stimulated contractions of isolated mouse va... | 1732519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732519 | 10.1021/jm00079a016 | Mus musculus | 1 |
| 1732519 | 10.1021/jm00079a016 | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine