Compound Detail
CHEMBL5853880
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O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@@H]2CN(CC(F)(F)F)CCC2c2ccc(Cl)cc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5853880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWHQKZMRBOBBBR-LBAUFKAWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.0
MW (Da)
5.32
ALogP
7
HBA
1
HBD
84.4
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.575 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Electrophysiological Assay : The following patch voltage clamp electrophysiology... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Electrophysiological Assay : The following patch voltage clamp electrophysiology... | - |
Data from ChEMBL 36 via Core Engine