Compound Detail
CHEMBL601310
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Basic Information
| ChEMBL ID | CHEMBL601310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWZWOPSAPAUDNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.13
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor IX CHEMBL2016 | Ki | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor IX | Ki | = | 11900.0 | nM | 4.92 | 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