Compound Detail
CHEMBL2312200
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Basic Information
| ChEMBL ID | CHEMBL2312200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUIRNGLMBHIITH-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
2.45
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Ki 2 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL4072 | Ki | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | Ki | = | 84000.0 | nM | 4.08 | Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z... | 23252745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23252745 | 10.1021/jm301544x | Cathepsin B | 3 |
| 34865870 | 10.1016/j.ejmech.2021.113975 | Unchecked | 3 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase KAT8 | 2 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase KAT2B | 1 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | No relevant target | 1 |
| 28527406 | 10.1016/j.ejmech.2017.05.015 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine