Compound Detail
CHEMBL555322
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
Cl.O=C(O)C1CCCN(CCOC(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL555322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTCBPBJVKBKBCQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195774 |
| Active Moiety | CHEMBL1195774 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.4
MW (Da)
5.39
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.46
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 920.0 | nM | 6.04 | In vitro inhibition of [3H]GABA uptake in rat Hippocampal slices. | 1433224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433224 | 10.1021/jm00100a032 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine