Compound Detail
CHEMBL571415
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C=C(C)[C@@H]1CC[C@]2(C(=O)NC(CO)CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL571415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNOLJZSMXRIVDM-ODLWIBRJSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.8
MW (Da)
5.47
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19911773 | 10.1021/jm900872z | G-protein coupled bile acid receptor 1 | 2 |
| 19911773 | 10.1021/jm900872z | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine