Compound Detail
CHEMBL430922
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Basic Information
| ChEMBL ID | CHEMBL430922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEJTXQOVOPDGHS-YOEHRIQHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.11
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.81 | 7.81 | 15.5 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 7.35 | 7.35 | 45.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15.5 | nM | 7.81 | Compound was tested for its inhibitory activity against cathepsin L | - |
| Cathepsin B | IC50 | = | 45.1 | nM | 7.35 | Compound was tested for its inhibitory activity against cathepsin B | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00236-M | Cathepsin B | 2 |
| - | 10.1016/0960-894X(95)00236-M | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00236-M | Chymotrypsinogen A | 1 |
Data from ChEMBL 36 via Core Engine