Compound Detail
CHEMBL5874035
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O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(CN2CCC(Oc3ncc(C4CC4)cc3Cl)CC2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5874035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVNAEBIOSDTKSX-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
548.1
MW (Da)
4.89
ALogP
6
HBA
1
HBD
88.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.25 | 7.3 | 5.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.6 | nM | 8.25 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 5.6 | nM | 8.25 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 449.0 | nM | 6.35 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 449.0 | nM | 6.35 | Electrophysiological Assay (EP) (In vitro Assay): Patch voltage clamp electrophy... | - |
Data from ChEMBL 36 via Core Engine