Compound Detail
CHEMBL2071011
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O=C(Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL2071011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSPPDESMZKYNPV-LJQANCHMSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
595.5
MW (Da)
5.79
ALogP
7
HBA
1
HBD
97.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 20.6 | mL.min-1.kg-1 | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910039 | 10.1016/j.bmcl.2012.07.060 | Liver microsomes | 2 |
| 22910039 | 10.1016/j.bmcl.2012.07.060 | Potassium voltage-gated channel subfamily KQT member 1 | 1 |
Data from ChEMBL 36 via Core Engine