Compound Detail
CHEMBL1181839
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1181839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSSMDVCMCOVRQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
1.93
ALogP
5
HBA
0
HBD
34.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XIII A chain CHEMBL4530 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XIII A chain | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human plasma coagulation factor XIIIa | 32502864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32502864 | 10.1016/j.ejmech.2020.112442 | Canis familiaris | 4 |
| 32502864 | 10.1016/j.ejmech.2020.112442 | Coagulation factor XIII A chain | 2 |
| 32502864 | 10.1016/j.ejmech.2020.112442 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine