Compound Detail
CHEMBL1198148
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Basic Information
| ChEMBL ID | CHEMBL1198148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHAMQFKGUUSJMU-KGLIPLIRSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
0.32
ALogP
4
HBA
4
HBD
125.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.96
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Kd | 6.96 | 6.96 | 110.0 | 2 |
| Prothrombin CHEMBL204 | Ki | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Kd | = | 110.0 | nM | 6.96 | Binding affinity to thrombin (unknown origin) by direct isothermal titration col... | 26270568 |
| Prothrombin | Kd | = | 110.0 | nM | 6.96 | Binding affinity to thrombin (unknown origin) | - |
| Prothrombin | Ki | = | 180.0 | nM | 6.75 | Binding affinity to thrombin (unknown origin) | 26270568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26270568 | 10.1021/acs.jmedchem.5b00812 | Prothrombin | 2 |
| - | 10.1039/C5MD00542F | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine