Compound Detail
CHEMBL608739
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Basic Information
| ChEMBL ID | CHEMBL608739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DECKAWYLAUJTJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
5.57
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor IX CHEMBL2016 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor IX | Ki | = | 23000.0 | nM | 4.64 | Inhibition of human recombinant factor 9a 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