Compound Detail
CHEMBL4059547
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](C(=O)OCCCO[N+](=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL4059547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHIVAIVNGNXYLY-SNYRDRRFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
593.5
MW (Da)
0.51
ALogP
15
HBA
4
HBD
226.7
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28458133 | 10.1016/j.ejmech.2017.03.020 | No relevant target | 6 |
| 28458133 | 10.1016/j.ejmech.2017.03.020 | MCF7 | 1 |
| 28458133 | 10.1016/j.ejmech.2017.03.020 | HCT-116 | 1 |
| 28458133 | 10.1016/j.ejmech.2017.03.020 | PC-3 | 1 |
| 28458133 | 10.1016/j.ejmech.2017.03.020 | HepG2 | 1 |
| 28458133 | 10.1016/j.ejmech.2017.03.020 | L02 | 1 |
Data from ChEMBL 36 via Core Engine