Compound Detail
CHEMBL3597149
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CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL3597149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSQFXSDDZCTWHI-ROVOMQDHSA-M |
| Parent Compound | CHEMBL3598239 |
| Active Moiety | CHEMBL3598239 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
860.5
MW (Da)
9.70
ALogP
14
HBA
3
HBD
207.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
34
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25960323 | 10.1016/j.bmc.2015.04.059 | NON-PROTEIN TARGET | 1 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | K562 | 1 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine