Compound Detail
CHEMBL5821244
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O=C(OCc1ccc(OC(F)(F)F)cc1)N1C[C@@H]2CN(C(=O)c3ccc(O)cn3)C[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL5821244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAGDGMZKVBZTMZ-GJZGRUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
3.03
ALogP
6
HBA
1
HBD
92.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Enzyme Inhibition Assay: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 ... | - |
Data from ChEMBL 36 via Core Engine