Compound Detail
CHEMBL5828168
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Cn1nccc1[C@H]1C[C@@H](OCc2ccccc2)C[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5828168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNXRHQBXCVTLFZ-PWHSHALESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
4.20
ALogP
8
HBA
1
HBD
108.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.47 | 7.47 | 34.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 34.0 | nM | 7.47 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
| Unchecked | IC50 | = | 34.0 | nM | 7.47 | Electrophysiological Assay: Current record was obtained by an automated patch cl... | - |
Data from ChEMBL 36 via Core Engine