Compound Detail
CHEMBL5876192
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Cc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCCC3c3ccc(Cl)cc3)cc2F)o1
Basic Information
| ChEMBL ID | CHEMBL5876192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKWSOPUCGHMXKL-MYJWUSKBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.9
MW (Da)
4.49
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.94 | 6.6 | 116.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 116.0 | nM | 6.94 | 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