Compound Detail
CHEMBL359132
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Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Cl)n(-c2cccc(C(=N)N)c2)n1
Basic Information
| ChEMBL ID | CHEMBL359132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKWMCMSZCZLLBU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.0
MW (Da)
3.68
ALogP
6
HBA
4
HBD
156.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2095204 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | Ki | = | 15.0 | nM | 7.82 | In vitro activity against human trypsin. | 11170646 |
| Prothrombin | Ki | = | 300.0 | nM | 6.52 | 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 |
| 11170646 | 10.1021/jm000409z | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine