Compound Detail
CHEMBL3099588
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Basic Information
| ChEMBL ID | CHEMBL3099588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHMQDEXHDVPACY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.82
ALogP
6
HBA
5
HBD
157.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1200.0 | nM | 5.92 | Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as... | 24900621 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 2900.0 | nM | 5.54 | Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escheric... | 24900621 |
| Prothrombin | Ki | = | 4400.0 | nM | 5.36 | Inhibition of thrombin (unknown origin) by fluorescence assay | 24900621 |
| Trypsin | Ki | = | 5500.0 | nM | 5.26 | Inhibition of trypsin (unknown origin) by fluorescence assay | 24900621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900621 | 10.1021/ml400213v | Trypsin | 1 |
| 24900621 | 10.1021/ml400213v | Prothrombin | 1 |
| 24900621 | 10.1021/ml400213v | Coagulation factor X | 1 |
| 24900621 | 10.1021/ml400213v | Urokinase-type plasminogen activator | 1 |
| 24900621 | 10.1021/ml400213v | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine