Compound Detail
CHEMBL445951
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C[C@H]1[C@@H](CCNC(=O)NCC[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL445951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFOFZPOYMRKFOD-SBUWDEJESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
648.8
MW (Da)
5.57
ALogP
9
HBA
2
HBD
115.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
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