Compound Detail
CHEMBL170680
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Basic Information
| ChEMBL ID | CHEMBL170680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMLNREUXXJESLR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
149.2
MW (Da)
-0.02
ALogP
3
HBA
3
HBD
49.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase A1 CHEMBL3481 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase A1 | Ki | = | 1400.0 | nM | 5.85 | Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hi... | 11831903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831903 | 10.1021/jm010272s | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine