Compound Detail
CHEMBL26490
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Basic Information
| ChEMBL ID | CHEMBL26490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAUPWONEWDTPEP-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.45
ALogP
1
HBA
3
HBD
65.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.12
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | Ki | 5.12 | 5.12 | 7680.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 4.54 | 4.54 | 29100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 7680.0 | nM | 5.12 | Inhibition constant against bovine thrombin | 6219223 |
| Prothrombin | IC50 | = | 22000.0 | nM | 4.66 | Compound was evaluated for inhibition of human alpha-thrombin catalytic activity... | - |
| Serine protease 1 | Ki | = | 29100.0 | nM | 4.54 | Inhibition constant against bovine trypsin | 6219223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6219223 | 10.1021/jm00356a036 | Plasminogen | 1 |
| 6219223 | 10.1021/jm00356a036 | Urokinase-type plasminogen activator | 1 |
| 6219223 | 10.1021/jm00356a036 | Prothrombin | 1 |
| 6219223 | 10.1021/jm00356a036 | Serine protease 1 | 1 |
| 6219223 | 10.1021/jm00356a036 | HEp-2 | 1 |
| - | 10.1016/0960-894X(96)00229-6 | Prothrombin | 1 |
| 26421993 | 10.1016/j.bmcl.2015.09.042 | Serine protease hepsin | 1 |
Data from ChEMBL 36 via Core Engine