Compound Detail
CHEMBL410426
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Cc1cc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C
Basic Information
| ChEMBL ID | CHEMBL410426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOPIEWKXPZBABX-WQRHYEAKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.8
MW (Da)
4.59
ALogP
5
HBA
1
HBD
105.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor V CHEMBL3618 | IC50 | 5.13 | 5.0833 | 7400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor V | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of human recombinant factor 5a C2 domain binding to immobilized phosp... | 17646652 |
| Coagulation factor V | IC50 | = | 8550.0 | nM | 5.07 | Inhibition of human factor 5a light chain binding to immobilized phospholipid by... | 17646652 |
| Coagulation factor V | IC50 | = | 8950.0 | nM | 5.05 | 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 X | 2 |
| 17646652 | 10.1073/pnas.0701051104 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine