Compound Detail
CHEMBL5274774
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C[C@H](N)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@@H](O)[C@H](C)N
Basic Information
| ChEMBL ID | CHEMBL5274774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXFKWMQQNSTRAS-MVRCMUOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.8
MW (Da)
6.42
ALogP
4
HBA
4
HBD
92.5
PSA (Ų)
0.11
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 6000.0 | nM | 5.22 | Antagonist activity at TRPM8 (unknown origin) | 27437828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27437828 | 10.1021/acs.jmedchem.6b00305 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine