Compound Detail
CHEMBL464983
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Basic Information
| ChEMBL ID | CHEMBL464983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSXIVVZCUAHUJO-HZJYTTRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.5
MW (Da)
6.66
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor VII/tissue factor CHEMBL2095194 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor VII/tissue factor | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of amidolytic activity of human tissue factor/human factor 7a | 9834151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9834151 | 10.1021/np980117p | Coagulation factor VII/tissue factor | 1 |
| 9834151 | 10.1021/np980117p | No relevant target | 1 |
| 9834151 | 10.1021/np980117p | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine