Compound Detail
CHEMBL332286
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Basic Information
| ChEMBL ID | CHEMBL332286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUYQSSPUXQWNFW-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
298.8
MW (Da)
4.04
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.22
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2111399 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Cathepsin H CHEMBL3309115 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Cathepsin H CHEMBL3309115 | Ki | 5.0 | 5.0 | 10010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | Ki | = | 6000.0 | nM | 5.22 | Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria | 12443791 |
| Cathepsin H | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of goat liver cathepsin H using Leu-betaNA substrate pre-incubated 30... | 24913985 |
| Cathepsin H | Ki | = | 10010.0 | nM | 5.0 | 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 H | 3 |
| 24913985 | 10.1016/j.bmc.2014.05.037 | Cathepsin B | 2 |
| 12443791 | 10.1016/s0960-894x(02)00699-6 | Monoamine oxidase | 1 |
| 12443791 | 10.1016/s0960-894x(02)00699-6 | Diamine oxidase [copper-containing] | 1 |
| 12443791 | 10.1016/s0960-894x(02)00699-6 | Unchecked | 1 |
| 20594840 | 10.1016/j.bmcl.2010.05.105 | Bacillus subtilis | 1 |
| 20594840 | 10.1016/j.bmcl.2010.05.105 | Staphylococcus aureus | 1 |
| 20594840 | 10.1016/j.bmcl.2010.05.105 | Enterococcus faecalis | 1 |
| 20594840 | 10.1016/j.bmcl.2010.05.105 | Pseudomonas aeruginosa | 1 |
| 20594840 | 10.1016/j.bmcl.2010.05.105 | Escherichia coli | 1 |
| 20594840 | 10.1016/j.bmcl.2010.05.105 | Enterobacter cloacae | 1 |
Data from ChEMBL 36 via Core Engine