Compound Detail
CHEMBL194193
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Basic Information
| ChEMBL ID | CHEMBL194193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRGYNNKHBMLPRD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
5.82
ALogP
5
HBA
2
HBD
74.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of human coagulation factor Xa after incubation for 10 min a... | 16161994 |
| Coagulation factor X | IC50 | = | 8.0 | nM | 8.1 | Inhibition of factor 10a | 20503967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16161994 | 10.1021/jm050101d | Coagulation factor X | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine