Compound Detail
CHEMBL173650
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Basic Information
| ChEMBL ID | CHEMBL173650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLAFJOJHGYYPNC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.0
MW (Da)
3.11
ALogP
7
HBA
1
HBD
109.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.1 | 9.05 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.8 | nM | 9.1 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | Ki | = | 1.0 | nM | 9.0 | Inhibition of Coagulation factor Xa | 11958994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958994 | 10.1016/s0960-894x(02)00056-2 | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine