Compound Detail
CHEMBL5574852
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C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3O
Basic Information
| ChEMBL ID | CHEMBL5574852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQMSKLCEWBSPPY-UKRKRAMSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.7
MW (Da)
5.47
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 183 CHEMBL3259470 | EC50 | 9.82 | 8.88 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 183 | EC50 | = | 0.15 | nM | 9.82 | Agonist activity at GPR183 (unknown origin) transfected in HEK293 cells assessed... | 38417036 |
| G-protein coupled receptor 183 | EC50 | = | 3.22 | nM | 8.49 | Agonist activity at GPR183 (unknown origin) transfected in HEK293 cells cotransf... | 38417036 |
| G-protein coupled receptor 183 | EC50 | = | 4.63 | nM | 8.33 | Agonist activity at GPR183 (unknown origin) transfected in HEK293 cells co-expre... | 38417036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38417036 | 10.1021/acs.jmedchem.3c01905 | G-protein coupled receptor 183 | 4 |
Data from ChEMBL 36 via Core Engine