Compound Detail
CHEMBL3350836
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C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)[C@H](C)CCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3350836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPTWRYOQVNBAPE-MWIOODTKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
5.95
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.49
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 |
| 8709103 | 10.1021/jm9600048 | Vitamin D3 receptor | 2 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Rattus norvegicus | 2 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Vitamin D3 receptor | 2 |
| 10479287 | 10.1021/jm980736v | HL-60 | 1 |
| 8709103 | 10.1021/jm9600048 | Vitamin D-binding protein | 1 |
| 11960494 | 10.1021/jm0105631 | Rattus norvegicus | 1 |
| 11960494 | 10.1021/jm0105631 | HL-60 | 1 |
| 11960494 | 10.1021/jm0105631 | C3H 10T1/2 | 1 |
| 11960494 | 10.1021/jm0105631 | Vitamin D3 receptor | 1 |
| 10479287 | 10.1021/jm980736v | Gallus gallus | 1 |
| 10479287 | 10.1021/jm980736v | Vitamin D-binding protein | 1 |
| 10479287 | 10.1021/jm980736v | Vitamin D3 receptor | 1 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Keratinocyte cell line | 1 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | MCF7 | 1 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | HL-60 | 1 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Unchecked | 1 |
| 10230636 | 10.1016/s0960-894x(99)00129-8 | Vitamin D-binding protein | 1 |
Data from ChEMBL 36 via Core Engine