Compound Detail
CHEMBL110056
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Basic Information
| ChEMBL ID | CHEMBL110056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGOMEJKRLLWSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
3.01
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase A1 CHEMBL3481 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase A1 | Ki | = | 200.0 | nM | 6.7 | Binding affinity against carboxypeptidase A using hippurylphenylalanine as subst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80816-7 | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine