Compound Detail
CHEMBL4226492
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Cc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4226492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAVZYSBLBOLIJU-QBBOMRNTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
623.6
MW (Da)
2.53
ALogP
11
HBA
4
HBD
178.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29277307 | 10.1016/j.bmc.2017.11.037 | MCF7 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | MV4-11 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | MIA PaCa-2 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | SW-620 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | HEL 92.1.7 | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | RL | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | Unchecked | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | Chikungunya virus | 1 |
| 29277307 | 10.1016/j.bmc.2017.11.037 | Vero | 1 |
Data from ChEMBL 36 via Core Engine