Compound Detail
CHEMBL17461
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C=C1C[C@@H]2C[C@@H]3C[C@@H](O)C[C@@H](O3)c3coc(n3)/C=C/C[C@H]3O[C@@H](/C(C)=C/c4coc(C[C@]5(O)C[C@H](OC)C[C@H](CO)O5)n4)[C@H](C)[C@@H](OC(=O)/C=C\C[C@@H](C1)O2)[C@H]3C
Basic Information
| ChEMBL ID | CHEMBL17461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMISUVTXHZLGGM-REUSRKTCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
794.9
MW (Da)
5.57
ALogP
14
HBA
3
HBD
185.2
PSA (Ų)
0.24
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354372 | 10.1016/s0960-894x(01)00191-3 | NALM-6 | 1 |
| 11354372 | 10.1016/s0960-894x(01)00191-3 | BT-20 | 1 |
| 11354372 | 10.1016/s0960-894x(01)00191-3 | U373 MG | 1 |
| 11354372 | 10.1016/s0960-894x(01)00191-3 | Candida albicans | 1 |
| 11354372 | 10.1016/s0960-894x(01)00191-3 | Saccharomyces pastorianus | 1 |
Data from ChEMBL 36 via Core Engine