Compound Detail
CHEMBL3145348
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Basic Information
| ChEMBL ID | CHEMBL3145348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJIGPSGMKTUBKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.2
MW (Da)
3.70
ALogP
4
HBA
3
HBD
104.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal protective protein CHEMBL6115 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal protective protein | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculo... | 22861813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22861813 | 10.1021/jm300663n | Lysosomal protective protein | 1 |
Data from ChEMBL 36 via Core Engine