Compound Detail
CHEMBL5804891
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O=S(=O)(Nc1ncc(F)cn1)c1cc(F)c(OC[C@@H]2CNCCC2c2ccc(Cl)cc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL5804891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLXFCNWPMMNUMM-MBIQTGHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.9
MW (Da)
4.12
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.12 | 7.12 | 76.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 76.4 | nM | 7.12 | Electrophysiological Assay : The following patch voltage clamp electrophysiology... | - |
Data from ChEMBL 36 via Core Engine