Compound Detail
CHEMBL5420149
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C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@H](C/C=C(\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5420149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQINEFJNQOSQIE-HFXGGMROSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.14
ALogP
8
HBA
0
HBD
100.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 7 CHEMBL3714706 | IC50 | 4.48 | 4.48 | 33000.0 | 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 7 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of FLAG-tagged mouse TRPM7 transfected in HEK293 cells assessed as in... | 38537009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38537009 | 10.1021/acs.jnatprod.3c00942 | Transient receptor potential cation channel subfamily M member 7 | 1 |
Data from ChEMBL 36 via Core Engine