Compound Detail
CHEMBL125758
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C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3ccc(O)c(OC)c3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL125758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYRNPTYLGKJDHQ-HRBILXKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.9
MW (Da)
8.04
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 125.89 | nM | 6.9 | Concentration necessary to induce a relative half-maximal response measured by t... | 12166946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166946 | 10.1021/jm020844o | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine