Compound Detail
CHEMBL198436
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Basic Information
| ChEMBL ID | CHEMBL198436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCMMWOVFLLUFDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.8
MW (Da)
4.61
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 2.3 | nM | 8.64 | Inhibitory constant against thrombin | 16137886 |
| Coagulation factor X | Ki | = | 6.0 | nM | 8.22 | Inhibitory constant against human Coagulation factor Xa | 16137886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137886 | 10.1016/j.bmcl.2005.07.022 | Prothrombin | 1 |
| 16137886 | 10.1016/j.bmcl.2005.07.022 | NON-PROTEIN TARGET | 1 |
| 16137886 | 10.1016/j.bmcl.2005.07.022 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine