Compound Detail
CHEMBL563825
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Basic Information
| ChEMBL ID | CHEMBL563825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASJIAILLRMGHSE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.0
MW (Da)
5.22
ALogP
7
HBA
1
HBD
85.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B CHEMBL6098 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Carboxypeptidase B CHEMBL2552 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
| Carboxypeptidase A1 CHEMBL3481 | Ki | 4.17 | 4.17 | 67300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B | Ki | = | 1400.0 | nM | 5.85 | Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pa... | 19386397 |
| Carboxypeptidase B | Ki | = | 40000.0 | nM | 4.4 | Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris ... | 19386397 |
| Carboxypeptidase A1 | Ki | = | 67300.0 | nM | 4.17 | Inhibition of bovine carboxypeptidase A1 | 19386397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19386397 | 10.1016/j.ejmech.2009.03.034 | Carboxypeptidase B | 2 |
| 19386397 | 10.1016/j.ejmech.2009.03.034 | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine