Compound Detail
CHEMBL4126546
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Basic Information
| ChEMBL ID | CHEMBL4126546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VURVFQCQBXKLJQ-KBPBESRZSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
3.07
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Cathepsin L CHEMBL4295862 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.07333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 93.0 | nM | 7.03 | Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 ... | 29650289 |
| Cathepsin L | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincu... | 29650289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29650289 | 10.1016/j.bmcl.2018.03.020 | Cathepsin L | 1 |
| 29650289 | 10.1016/j.bmcl.2018.03.020 | Procathepsin L | 1 |
| 29650289 | 10.1016/j.bmcl.2018.03.020 | Unchecked | 1 |
| 29650289 | 10.1016/j.bmcl.2018.03.020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine