Compound Detail
CHEMBL3343304
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Nc1c(OCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1OCc1cc(-c2ccc(Cl)s2)on1
Basic Information
| ChEMBL ID | CHEMBL3343304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXGSYPULPXOYEC-UJGPHIHISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.0
MW (Da)
1.80
ALogP
12
HBA
5
HBD
169.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 6900.0 | nM | 5.16 | Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic... | 25268757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25268757 | 10.1021/jm5010754 | Prothrombin | 1 |
| 25268757 | 10.1021/jm5010754 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine