Compound Detail
CHEMBL90403
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Basic Information
| ChEMBL ID | CHEMBL90403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUEBVBPVXLQMQR-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
196.3
MW (Da)
1.86
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast cell carboxypeptidase A CHEMBL2645 | Ki | 8.11 | 8.11 | 7.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast cell carboxypeptidase A | Ki | = | 7.8 | nM | 8.11 | Compound was tested for inhibitory activity against carboxypeptidase A | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80741-1 | Mast cell carboxypeptidase A | 1 |
Data from ChEMBL 36 via Core Engine