Compound Detail
CHEMBL422688
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Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(C(=N)N)c2)n1
Basic Information
| ChEMBL ID | CHEMBL422688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKMDEQIJNRKKNH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
3.93
ALogP
6
HBA
3
HBD
130.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.02 | nM | 10.7 | Binding affinity against human coagulation factor X | 11170646 |
| Prothrombin | Ki | = | 230.0 | nM | 6.64 | In vitro activity against human thrombin. | 11170646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170646 | 10.1021/jm000409z | Coagulation factor X | 1 |
| 11170646 | 10.1021/jm000409z | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine