Compound Detail
CHEMBL3939456
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Basic Information
| ChEMBL ID | CHEMBL3939456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGUSXZKRBGJRHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.31
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | IC50 | = | 2.0 | nM | 8.7 | In-vitro Plasma Kallikrein Inhibition: Enzymatic reactions were conducted in â¿¿... | - |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | In-vitro Plasma Kallikrein Inhibition: Enzymatic reactions were conducted in â¿¿... | - |
Data from ChEMBL 36 via Core Engine