Compound Detail
CHEMBL503018
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CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1C(=O)OCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL503018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDRARWPLGJTFMR-MRBOMJAESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
625.6
MW (Da)
3.80
ALogP
11
HBA
0
HBD
155.5
PSA (Ų)
0.08
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18930406 | 10.1016/j.bmc.2008.10.001 | Prostaglandin G/H synthase 1 | 1 |
| 18930406 | 10.1016/j.bmc.2008.10.001 | Prostaglandin G/H synthase 2 | 1 |
| 18930406 | 10.1016/j.bmc.2008.10.001 | Rattus norvegicus | 1 |
| 18930406 | 10.1016/j.bmc.2008.10.001 | No relevant target | 1 |
| 18930406 | 10.1016/j.bmc.2008.10.001 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine