Compound Detail
CHEMBL473772
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Basic Information
| ChEMBL ID | CHEMBL473772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGUDOEAVFUTLFC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.4
MW (Da)
5.70
ALogP
4
HBA
3
HBD
98.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 1.3 | nM | 8.89 | Inhibition of Factor 10a | 19297154 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 200.0 | nM | 6.7 | Inhibition of human ERG by patch clamp assay | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19297154 | 10.1016/j.bmcl.2009.02.111 | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine