Compound Detail
CHEMBL85938
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Basic Information
| ChEMBL ID | CHEMBL85938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UORSJJNIHCUTDL-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
2.09
ALogP
8
HBA
3
HBD
144.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Coagulation factor X CHEMBL3656 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 6.0 | nM | 8.22 | In vitro evaluation of inhibitory activity against Coagulation factor X in proth... | 10498204 |
| Coagulation factor X | Ki | = | 6.0 | nM | 8.22 | Inhibition of factor 10a | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Unchecked | 5 |
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine