Compound Detail
CHEMBL3905475
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 | CHEMBL3905475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXJKFEZCNLMZSU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
3.50
ALogP
7
HBA
2
HBD
98.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | IC50 | = | 21.0 | nM | 7.68 | In-vitro Plasma Kallikrein Inhibition: Enzymatic reactions were conducted in â¿¿... | - |
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | In-vitro Plasma Kallikrein Inhibition: Enzymatic reactions were conducted in â¿¿... | - |
Data from ChEMBL 36 via Core Engine