Compound Detail
CHEMBL122560
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C=C(C(=O)NCc1ccc(O)c(OC)c1)[C@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL122560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQRDVCMTKFZFKE-NWZJSZKRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.93
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 6.7 | 6.7 | 199.5 | 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 | = | 199.53 | nM | 6.7 | 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