Compound Detail
CHEMBL3597228
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CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL3597228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTBOVLSHPKLJGX-QGOVQYAGSA-M |
| Parent Compound | CHEMBL3598290 |
| Active Moiety | CHEMBL3598290 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
916.1
MW (Da)
9.72
ALogP
15
HBA
4
HBD
227.7
PSA (Ų)
0.02
QED
3
Ro5 Violations
38
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 | 4 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | Rattus norvegicus | 3 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | Raji | 1 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | HL-60 | 1 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | K562 | 1 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | ZR-75-1 | 1 |
| 25960323 | 10.1016/j.bmc.2015.04.059 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine