Compound Detail
CHEMBL4472454
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Basic Information
| ChEMBL ID | CHEMBL4472454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZESHZMXLEDNWTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.57
ALogP
6
HBA
2
HBD
106.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 5.81 | 5.81 | 1543.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 1543.0 | nM | 5.81 | Inhibition of human factor Xa using S-2222 as substrate preincubated for 30 mins... | 30446438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30446438 | 10.1016/j.bmc.2018.09.012 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine