Compound Detail
CHEMBL5808786
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CC(=O)Nc1ccc(C(=O)N2C[C@H]3CN(C(=O)OCc4cc(Cl)cc(Cl)c4)C[C@H]3C2)cc1
Basic Information
| ChEMBL ID | CHEMBL5808786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLTXTAJZWQZYIJ-HDICACEKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
4.29
ALogP
4
HBA
1
HBD
79.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.145 | 342.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 342.0 | nM | 6.47 | Enzyme Inhibition Assay: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 ... | - |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Enzyme Inhibition Assay: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 ... | - |
Data from ChEMBL 36 via Core Engine