Compound Detail
CHEMBL4594145
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Basic Information
| ChEMBL ID | CHEMBL4594145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMJHSJCEICXGOL-UZDYRDJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin K epoxide reductase complex subunit 1 CHEMBL1930 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin K epoxide reductase complex subunit 1 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for... | 31147103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31147103 | 10.1016/j.bmcl.2019.05.039 | Vitamin K epoxide reductase complex subunit 1 | 1 |
Data from ChEMBL 36 via Core Engine