Compound Detail
CHEMBL356252
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL356252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOEIIYROBVUQFU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
1.85
ALogP
5
HBA
2
HBD
94.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B2 CHEMBL3419 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Carboxypeptidase A1 CHEMBL2088 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B2 | IC50 | = | 52.0 | nM | 7.28 | In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in ... | 14640538 |
| ADMET | IC50 | = | 69.0 | nM | 7.16 | In vitro inhibition of thrombin-activatable fibrinolysis was determined by clot ... | 14640538 |
| Carboxypeptidase A1 | IC50 | = | 6400.0 | nM | 5.19 | In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis ass... | 14640538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640538 | 10.1021/jm034141y | ADMET | 2 |
| 14640538 | 10.1021/jm034141y | Carboxypeptidase B2 | 1 |
| 14640538 | 10.1021/jm034141y | Carboxypeptidase A1 | 1 |
| 14640538 | 10.1021/jm034141y | Unchecked | 1 |
| 14640538 | 10.1021/jm034141y | Carboxypeptidase M | 1 |
Data from ChEMBL 36 via Core Engine