Compound Detail
CHEMBL278228
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COC(=O)C[C@]1(O)C[C@H](OC)C[C@H]([C@H](O)/C=C(C)/C=C/[C@@H](C/C=C/Br)OC)O1
Basic Information
| ChEMBL ID | CHEMBL278228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZVIIFZELQIKJA-OTZMNSOASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
2.61
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
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