Compound Detail
CHEMBL6065040
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CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F
Basic Information
| ChEMBL ID | CHEMBL6065040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZAYOHJGXLWETR-QGZVFWFLSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
4.23
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.66 | 7.756 | 2.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.2 | nM | 8.66 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 2.2 | nM | 8.66 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine