Compound Detail
CHEMBL3238002
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Basic Information
| ChEMBL ID | CHEMBL3238002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNSLOKYTBABVMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
3.63
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL3232689 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Cathepsin H CHEMBL3309115 | Ki | 4.11 | 4.11 | 78100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | Ki | = | 2400.0 | nM | 5.62 | Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,... | 24642566 |
| Cathepsin H | Ki | = | 78100.0 | nM | 4.11 | Non-competitive inhibition of cathepsin H in goat liver using Leu-betaNA as subs... | 24642566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Cathepsin B | 3 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Unchecked | 2 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Cathepsin H | 2 |
Data from ChEMBL 36 via Core Engine