Compound Detail
CHEMBL3920300
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COc1ccc2c(c1-c1cc(C(CC(=O)O)c3nnc(C)o3)cc(C(F)(F)F)c1)OC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL3920300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPZDFUHQIYXMOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
5.39
ALogP
6
HBA
1
HBD
94.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal protective protein CHEMBL6115 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal protective protein | IC50 | = | 10.0 | nM | 8.0 | Inhibition Assay: Recombinant human cathepsin A (residues 29-480, with a C-termi... | - |
Data from ChEMBL 36 via Core Engine