Compound Detail
CHEMBL1614804
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Basic Information
| ChEMBL ID | CHEMBL1614804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMRFKZWWZBZQKJ-GOSISDBHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
4.15
ALogP
6
HBA
2
HBD
66.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor VIII CHEMBL3143 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| Coagulation factor V CHEMBL3618 | IC50 | 4.85 | 4.7133 | 14000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor VIII | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of human factor 8 binding to immobilized phospholipid by surface plas... | 17646652 |
| Coagulation factor V | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of human recombinant factor 5a C2 domain binding to immobilized phosp... | 17646652 |
| Coagulation factor V | IC50 | = | 15710.0 | nM | 4.8 | Inhibition of human factor 5a light chain binding to immobilized phospholipid by... | 17646652 |
| Coagulation factor V | IC50 | = | 32400.0 | nM | 4.49 | Inhibition of factor 5a-mediated prothrombin activation in human plasma by proth... | 17646652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17646652 | 10.1073/pnas.0701051104 | Coagulation factor V | 4 |
| 17646652 | 10.1073/pnas.0701051104 | Coagulation factor VIII | 1 |
| 17646652 | 10.1073/pnas.0701051104 | Prothrombin | 1 |
| 17646652 | 10.1073/pnas.0701051104 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine