Compound Detail
CHEMBL368285
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Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccncc4S(N)(=O)=O)cc3F)cc12
Basic Information
| ChEMBL ID | CHEMBL368285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIRYBZWAPDLBNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
561.5
MW (Da)
3.72
ALogP
9
HBA
3
HBD
172.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.1 | nM | 10.0 | Binding affinity against human Coagulation factor Xa | 15771420 |
| Prothrombin | Ki | = | 740.0 | nM | 6.13 | Binding affinity against human thrombin | 15771420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771420 | 10.1021/jm0497949 | Coagulation factor X | 1 |
| 15771420 | 10.1021/jm0497949 | Prothrombin | 1 |
| 15771420 | 10.1021/jm0497949 | Serine protease 1 | 1 |
| 15771420 | 10.1021/jm0497949 | Caco-2 | 1 |
| 15771420 | 10.1021/jm0497949 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine