Compound Detail
CHEMBL553660
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CO[C@H]1[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL553660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTQWFYXLYNJGCR-OJSOPAHASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
710.8
MW (Da)
0.26
ALogP
14
HBA
6
HBD
210.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | EC50 | = | 600.0 | nM | 6.22 | Inhibition of HIF1 activation in human U251 cells stably transfected in pGL2-TK-... | 19405508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19405508 | 10.1021/np8006342 | U-251 | 2 |
| 19405508 | 10.1021/np8006342 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 2 |
| 19405508 | 10.1021/np8006342 | A549 | 1 |
| 19405508 | 10.1021/np8006342 | HT-29 | 1 |
| 19405508 | 10.1021/np8006342 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine