Compound Detail
CHEMBL5269402
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C=C(C)[C@]12C[C@@H](C)[C@@]34OC(Cc5ccccc5)(O[C@@H]1C3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2
Basic Information
| ChEMBL ID | CHEMBL5269402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSDNAKHZNJAGHN-VWXVFCJASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
628.7
MW (Da)
4.74
ALogP
9
HBA
2
HBD
120.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 6.82 | 6.82 | 150.0 | 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 | = | 150.0 | nM | 6.82 | 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