Compound Detail
CHEMBL4861443
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Basic Information
| ChEMBL ID | CHEMBL4861443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWYIPXCIDKTXAY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.86
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B2 CHEMBL3419 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant human activated TAFI incubated for 45 mins using hippu... | 33764059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33764059 | 10.1021/acs.jmedchem.0c02072 | Carboxypeptidase B2 | 1 |
Data from ChEMBL 36 via Core Engine