Compound Detail
CHEMBL442191
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C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL442191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMRQFYUYWCNGIN-WJBPREEXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
5.70
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480267 | 10.1021/jm050795q | Vitamin D3 receptor | 3 |
| 10893309 | 10.1021/jm0000160 | Unchecked | 2 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Vitamin D3 receptor | 1 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Vitamin D-binding protein | 1 |
| 14505658 | 10.1016/s0960-894x(03)00739-x | Vitamin D3 receptor | 1 |
| 14505658 | 10.1016/s0960-894x(03)00739-x | HL-60 | 1 |
| 10479287 | 10.1021/jm980736v | Vitamin D3 receptor | 1 |
| 10479287 | 10.1021/jm980736v | Vitamin D-binding protein | 1 |
| 10479287 | 10.1021/jm980736v | HL-60 | 1 |
| 10479287 | 10.1021/jm980736v | Mus musculus | 1 |
| 10893309 | 10.1021/jm0000160 | Vitamin D-binding protein | 1 |
| 10893309 | 10.1021/jm0000160 | Vitamin D3 receptor | 1 |
Data from ChEMBL 36 via Core Engine