Compound Detail
CHEMBL58957
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Basic Information
| ChEMBL ID | CHEMBL58957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUEBVBPVXLQMQR-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
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 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase A1 CHEMBL3481 | Ki | 8.0 | 7.97 | 10.0 | 4 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase A1 | Ki | = | 10.0 | nM | 8.0 | Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hi... | 11831903 |
| Carboxypeptidase A1 | Ki | = | 11.0 | nM | 7.96 | Compound was evaluated for binding affinity against carboxypeptidase A (CPA), ex... | - |
| Glutamate carboxypeptidase 2 | Ki | = | 11.0 | nM | 7.96 | In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) usin... | 12723961 |
| Carboxypeptidase A1 | Ki | = | 11.0 | nM | 7.96 | Binding affinity against carboxypeptidase A using hippurylphenylalanine as subst... | - |
| Carboxypeptidase A1 | Ki | = | 11.0 | nM | 7.96 | Inhibition of bovine pancreatic carboxypeptidase A | 17990866 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Compound was tested for inhibitory activity against Carboxypeptidase A | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80817-9 | Carboxypeptidase A1 | 1 |
| 12723961 | 10.1021/jm020515w | Glutamate carboxypeptidase 2 | 1 |
| - | 10.1016/S0960-894X(01)80741-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80816-7 | Carboxypeptidase A1 | 1 |
| 11831903 | 10.1021/jm010272s | Carboxypeptidase A1 | 1 |
| 17990866 | 10.1021/jm0702433 | Carboxypeptidase A1 | 1 |
| 17990866 | 10.1021/jm0702433 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine