Compound Detail
CHEMBL103102
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 | CHEMBL103102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUUYRYYUKNNNNS-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
127.2
MW (Da)
0.37
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.82
Kd 2 meas. best 3.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.82 | 5.39 | 150.0 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 6.44 | 6.44 | 360.0 | 1 |
| Prothrombin CHEMBL204 | Kd | 3.97 | 3.84 | 107000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 150.0 | nM | 6.82 | Inhibitory Activity against human thrombin | 10956211 |
| Serine protease 1 | Ki | = | 360.0 | nM | 6.44 | Inhibitory Activity against bovine trypsin | 10956211 |
| Prothrombin | Kd | = | 107000.0 | nM | 3.97 | Binding affinity to thrombin (unknown origin) by direct isothermal titration col... | 26270568 |
| Prothrombin | Ki | = | 111000.0 | nM | 3.96 | Binding affinity to thrombin (unknown origin) | 26270568 |
| Prothrombin | Kd | = | 197000.0 | nM | 3.71 | Binding affinity to thrombin (unknown origin) by displacement titration based is... | 26270568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26270568 | 10.1021/acs.jmedchem.5b00812 | Prothrombin | 3 |
| 10956211 | 10.1021/jm000934y | Prothrombin | 1 |
| 10956211 | 10.1021/jm000934y | Serine protease 1 | 1 |
| 33471524 | 10.1021/acs.jmedchem.0c01809 | Prothrombin | 1 |
| 33471524 | 10.1021/acs.jmedchem.0c01809 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine