Compound Detail
CHEMBL447391
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Basic Information
| ChEMBL ID | CHEMBL447391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYGNDEAYDITYQP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
3.52
ALogP
4
HBA
4
HBD
121.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Factor 10a | 19297158 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of kallikrein | 19297158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Unchecked | 3 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Coagulation factor X | 1 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Rattus norvegicus | 1 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Prothrombin | 1 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Tissue-type plasminogen activator | 1 |
| 19297158 | 10.1016/j.bmcl.2009.02.114 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine