Compound Detail
CHEMBL200151
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL200151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYSYABZOHYNMCH-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.26
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL3349 | Ki | 7.08 | 7.08 | 84.0 | 1 |
| Falcipain 2 CHEMBL5800 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 4.58 | 4.3933 | 26500.0 | 3 |
| Cathepsin S CHEMBL2954 | Ki | 4.51 | 4.51 | 31000.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 84.0 | nM | 7.08 | Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | 16302794 |
| Unchecked | Ki | = | 1200.0 | nM | 5.92 | Inhibition of Plasmodium falciparum recombinant falcipain 2 using Cbz-Leu-Arg-AM... | - |
| Falcipain 2 | Ki | = | 1200.0 | nM | 5.92 | Inhibition of Plasmodium falciparum FP-2 using Cbz-Leu-Arg-AMC as substrate and ... | 36996716 |
| Procathepsin L | Ki | = | 26500.0 | nM | 4.58 | Inhibition of human cathepsin L | - |
| Procathepsin L | Ki | = | 26500.0 | nM | 4.58 | Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate by fluorescen... | 36996716 |
| Cathepsin S | Ki | = | 31000.0 | nM | 4.51 | Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate | 16302794 |
| Cathepsin B | Ki | = | 64000.0 | nM | 4.19 | Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrat... | 16302794 |
| Procathepsin L | Ki | = | 95000.0 | nM | 4.02 | Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate | 16302794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00115A | Unchecked | 3 |
| - | 10.1039/C1MD00115A | Cathepsin B | 2 |
| - | 10.1039/C1MD00115A | Procathepsin L | 2 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Unchecked | 2 |
| 16302794 | 10.1021/jm058198r | Cathepsin K | 1 |
| 16302794 | 10.1021/jm058198r | Cathepsin B | 1 |
| 16302794 | 10.1021/jm058198r | Procathepsin L | 1 |
| 16302794 | 10.1021/jm058198r | Cathepsin S | 1 |
| 26985300 | 10.1021/acsmedchemlett.5b00474 | Cathepsin B | 1 |
| 27890381 | 10.1016/j.bmcl.2016.11.036 | Unchecked | 1 |
| 27890381 | 10.1016/j.bmcl.2016.11.036 | Procathepsin L | 1 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Falcipain 2 | 1 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine