Compound Detail
CHEMBL596949
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Basic Information
| ChEMBL ID | CHEMBL596949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUCPVCINIMFUMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
6.58
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor IX CHEMBL2016 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor IX | Ki | = | 36.0 | nM | 7.44 | Inhibition of human recombinant factor 9a by amidolytic assay | 20121198 |
| Coagulation factor X | Ki | = | 37.0 | nM | 7.43 | Inhibition of factor 10 by amidolytic assay | 20121198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20121198 | 10.1021/jm901475e | Coagulation factor IX | 1 |
| 20121198 | 10.1021/jm901475e | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine