Compound Detail
CHEMBL417827
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Basic Information
| ChEMBL ID | CHEMBL417827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REMBPXUMWHBHEX-MYKUNDNFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
2.32
ALogP
4
HBA
5
HBD
134.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.68 | 6.67 | 210.0 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 210.0 | nM | 6.68 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | Ki | = | 220.0 | nM | 6.66 | Inhibitory concentration against human Coagulation factor Xa (fXa) | 11881991 |
| Serine protease 1 | Ki | = | 7400.0 | nM | 5.13 | Inhibitory concentration against bovine trypsin | 11881991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881991 | 10.1021/jm010944e | Coagulation factor X | 1 |
| 11881991 | 10.1021/jm010944e | Serine protease 1 | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine