Compound Detail
CHEMBL455092
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(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL455092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQRWUUCMJDKGES-GASLPTIJSA-N |
| Parent Compound | CHEMBL1186235 |
| Active Moiety | CHEMBL1186235 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.94
ALogP
7
HBA
2
HBD
87.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16124759 | 10.1021/np058033l | SF-295 | 1 |
| 16124759 | 10.1021/np058033l | NCI-H460 | 1 |
| 16124759 | 10.1021/np058033l | MCF7 | 1 |
| 16124759 | 10.1021/np058033l | KM-20L2 | 1 |
| 16124759 | 10.1021/np058033l | BXPC-3 | 1 |
| 16124759 | 10.1021/np058033l | DU-145 | 1 |
| 16124759 | 10.1021/np058033l | Cryptococcus neoformans | 1 |
| 16124759 | 10.1021/np058033l | Neisseria gonorrhoeae | 1 |
| 16124759 | 10.1021/np058033l | Streptococcus pneumoniae | 1 |
| 16124759 | 10.1021/np058033l | Enterococcus faecalis | 1 |
| 16124759 | 10.1021/np058033l | P388 | 1 |
Data from ChEMBL 36 via Core Engine