Compound Detail
CHEMBL5801875
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CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)[C@H](COc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)C1
Basic Information
| ChEMBL ID | CHEMBL5801875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMYALALOZZAFQF-ATNAJCNCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
601.1
MW (Da)
5.69
ALogP
8
HBA
1
HBD
110.7
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.79 | 6.525 | 164.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 164.0 | nM | 6.79 | Electrophysiological Assay : The following patch voltage clamp electrophysiology... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Electrophysiological Assay : The following patch voltage clamp electrophysiology... | - |
Data from ChEMBL 36 via Core Engine