Compound Detail
CHEMBL357083
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CN(C)C(=N)c1ccc(/C=C2/CCCC/C(=C/c3ccc(C(=N)N(C)C)cc3)C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL357083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACQPTINNLFSDRI-VOOVRURASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
5.07
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1600.0 | nM | 5.8 | In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme sys... | 10639283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639283 | 10.1021/jm990456v | Coagulation factor X | 1 |
| 10639283 | 10.1021/jm990456v | Prothrombin | 1 |
| 10639283 | 10.1021/jm990456v | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine