Compound Detail
CHEMBL3694275
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Nc1ccc(CC(C(=O)O)c2cn(CC3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)cn1
Basic Information
| ChEMBL ID | CHEMBL3694275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXXCJSGIRMLZRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
4.34
ALogP
6
HBA
2
HBD
114.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B CHEMBL2552 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B | IC50 | = | 11.0 | nM | 7.96 | Inhibition Assay: The prepared substances were tested for TAFIa inhibition using... | - |
Data from ChEMBL 36 via Core Engine