Compound Detail
CHEMBL5881829
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O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(CN2C3CCC2CC(Oc2cc(Cl)cc(OC(F)(F)F)c2)C3)cc1F
Basic Information
| ChEMBL ID | CHEMBL5881829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SESKKLSLNVUPLI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
617.1
MW (Da)
6.05
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
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 (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
Data from ChEMBL 36 via Core Engine