Compound Detail
CHEMBL5775472
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O=C(c1ccc(S(=O)(=O)CCCF)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
Basic Information
| ChEMBL ID | CHEMBL5775472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGPXSOGSOPKNPF-DNQXCXABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.24
ALogP
5
HBA
1
HBD
74.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 7.89 | 7.89 | 12.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 12.8 | nM | 7.89 | Binding Affinity Assay: The binding affinity of a compound to VAChT was measured... | - |
Data from ChEMBL 36 via Core Engine