Compound Detail
CHEMBL101027
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Basic Information
| ChEMBL ID | CHEMBL101027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTBSRVFCHBNOEV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.64
ALogP
4
HBA
4
HBD
109.6
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 5.53 | 5.53 | 2930.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.0 | 5.0 | 9960.0 | 1 |
| Prothrombin CHEMBL4471 | Ki | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | Ki | = | 2930.0 | nM | 5.53 | Inhibition constant against human plasminogen | 6219223 |
| Serine protease 1 | Ki | = | 3200.0 | nM | 5.5 | Inhibition constant against bovine trypsin | 6219223 |
| Urokinase-type plasminogen activator | Ki | = | 9960.0 | nM | 5.0 | Inhibition constant against Urokinase | 6219223 |
| Prothrombin | Ki | = | 11100.0 | nM | 4.96 | Inhibition constant against bovine thrombin | 6219223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510102 | 10.1021/jm00064a008 | Nucleic Acid | 4 |
| 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 |
| 8510102 | 10.1021/jm00064a008 | Calf thymus DNA | 1 |
Data from ChEMBL 36 via Core Engine