Compound Detail
CHEMBL161309
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Basic Information
| ChEMBL ID | CHEMBL161309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEMDQSFWUIKZJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.0
MW (Da)
2.81
ALogP
6
HBA
1
HBD
99.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 4.0 | nM | 8.4 | In vitro binding affinity for human Coagulation factor X | 12593648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593648 | 10.1021/jm020384z | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine