Compound Detail
CHEMBL379986
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COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1
Basic Information
| ChEMBL ID | CHEMBL379986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCSJZAXCNUGUJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
1.99
ALogP
9
HBA
2
HBD
165.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.7 | nM | 8.77 | Binding affinity to human f10a | 16682200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16682200 | 10.1016/j.bmcl.2006.04.044 | NON-PROTEIN TARGET | 1 |
| 16682200 | 10.1016/j.bmcl.2006.04.044 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine