Compound Detail
CHEMBL3309798
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Basic Information
| ChEMBL ID | CHEMBL3309798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVJANKODBPSMRO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.29
ALogP
4
HBA
0
HBD
75.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.94
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL3232689 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Cathepsin B CHEMBL3232689 | Ki | 4.94 | 4.94 | 11410.0 | 1 |
| Cathepsin H CHEMBL3309115 | Ki | 4.61 | 4.61 | 24320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of goat liver cathepsin B using BANA substrate pre-incubated 30 mins ... | 24913985 |
| Cathepsin B | Ki | = | 11410.0 | nM | 4.94 | Non-competitive inhibition of goat liver cathepsin B using BANA substrate by Lin... | 24913985 |
| Cathepsin H | Ki | = | 24320.0 | nM | 4.61 | Non-competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate ... | 24913985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24913985 | 10.1016/j.bmc.2014.05.037 | Cathepsin B | 3 |
| 24913985 | 10.1016/j.bmc.2014.05.037 | Cathepsin H | 2 |
Data from ChEMBL 36 via Core Engine