Compound Detail
CHEMBL261865
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O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL261865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGAPMFLSMNOPPE-PDGQHHTCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
495.9
MW (Da)
4.63
ALogP
6
HBA
1
HBD
118.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor VIII CHEMBL3143 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| Coagulation factor V CHEMBL3618 | IC50 | 4.85 | 4.6433 | 14070.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor VIII | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of human factor 8 binding to immobilized phospholipid by surface plas... | 17646652 |
| Coagulation factor V | IC50 | = | 14070.0 | nM | 4.85 | Inhibition of human factor 5a light chain binding to immobilized phospholipid by... | 17646652 |
| Coagulation factor V | IC50 | = | 21920.0 | nM | 4.66 | Inhibition of human recombinant factor 5a C2 domain binding to immobilized phosp... | 17646652 |
| Coagulation factor V | IC50 | = | 38050.0 | nM | 4.42 | 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