Compound Detail
CHEMBL5859742
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Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Cl.[Na+]
Basic Information
| ChEMBL ID | CHEMBL5859742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSBCMMROOWWREF-KKJWGQAZSA-N |
| Parent Compound | CHEMBL6070949 |
| Active Moiety | CHEMBL6070949 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
4.58
ALogP
7
HBA
1
HBD
86.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
Data from ChEMBL 36 via Core Engine