Compound Detail
CHEMBL3944942
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Basic Information
| ChEMBL ID | CHEMBL3944942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZFYJBNAWVIPQP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.9
MW (Da)
4.22
ALogP
7
HBA
2
HBD
97.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 8.77 | 8.39 | 1.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.77 | 8.39 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1.7 | nM | 8.77 | Inhibition Assay: To determine the thrombin inhibition of the substances listed ... | - |
| Unchecked | IC50 | = | 1.7 | nM | 8.77 | Inhibition Assay: To determine the thrombin inhibition of the substances listed ... | - |
| Prothrombin | IC50 | = | 9.7 | nM | 8.01 | Inhibition Assay: To determine the thrombin inhibition of the substances listed ... | - |
| Unchecked | IC50 | = | 9.7 | nM | 8.01 | Inhibition Assay: To determine the thrombin inhibition of the substances listed ... | - |
Data from ChEMBL 36 via Core Engine