Compound Detail
CHEMBL574900
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C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32.[I-]
Basic Information
| ChEMBL ID | CHEMBL574900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWPJQWHIXCZTRG-XUPBFBPUSA-M |
| Parent Compound | CHEMBL1197513 |
| Active Moiety | CHEMBL1197513 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
0.89
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788245 | 10.1021/jm901031h | NON-PROTEIN TARGET | 3 |
| 19788245 | 10.1021/jm901031h | A549 | 1 |
| 19788245 | 10.1021/jm901031h | SK-MEL-28 | 1 |
| 19788245 | 10.1021/jm901031h | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine