Compound Detail
CHEMBL508096
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C[C@H]1[C@@H](CCOP(C)(=O)OCC[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35O4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3
Basic Information
| ChEMBL ID | CHEMBL508096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYVHFKHDAYFVJF-XVCDAZLWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
652.8
MW (Da)
7.26
ALogP
9
HBA
0
HBD
90.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.55 | 4.55 | 28140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 28140.0 | nM | 4.55 | Anticancer activity against human HL60 cells by MTT assay | 19136263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19136263 | 10.1016/j.bmc.2008.12.017 | HL-60 | 1 |
| 19136263 | 10.1016/j.bmc.2008.12.017 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine