Compound Detail
CHEMBL339003
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Basic Information
| ChEMBL ID | CHEMBL339003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPTCVTJCJMVIDV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
0.22
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL3232689 | Ki | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | Ki | = | 870.0 | nM | 6.06 | Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-ar... | 24642566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24246731 | 10.1016/j.ejmech.2013.10.029 | Mycobacterium tuberculosis | 2 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Unchecked | 2 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Cathepsin B | 2 |
| 24642566 | 10.1016/j.ejmech.2014.03.007 | Cathepsin H | 2 |
| 15239654 | 10.1021/jm049913k | Mycobacterium tuberculosis | 1 |
| 24246731 | 10.1016/j.ejmech.2013.10.029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine