Compound Detail
CHEMBL317414
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Basic Information
| ChEMBL ID | CHEMBL317414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEDMEZOIFYLIGT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
-0.26
ALogP
5
HBA
4
HBD
145.4
PSA (Ų)
0.14
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | EC50 | = | 590.0 | nM | 6.23 | Concentration required to inhibit thrombin hydrolysis of the chromogenic substra... | 8423602 |
| Homo sapiens | EC50 | = | 750.0 | nM | 6.12 | In vitro prolong clotting time in human platelet poor plasma was determined | 8423602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8423602 | 10.1021/jm00054a018 | Prothrombin | 1 |
| 8423602 | 10.1021/jm00054a018 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine