Compound Detail
CHEMBL3898446
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Basic Information
| ChEMBL ID | CHEMBL3898446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKNQOJGNOABDKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.58
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | IC50 | = | 2.6 | nM | 8.59 | In-vitro Plasma Kallikrein Inhibition: Enzymatic reactions were conducted in â¿¿... | - |
| Unchecked | IC50 | = | 2.6 | nM | 8.59 | In-vitro Plasma Kallikrein Inhibition: Enzymatic reactions were conducted in â¿¿... | - |
Data from ChEMBL 36 via Core Engine