Compound Detail
CHEMBL52393
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Basic Information
| ChEMBL ID | CHEMBL52393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRFGXXLXDHLUEU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
4.13
ALogP
4
HBA
6
HBD
157.1
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | Ki | 5.49 | 5.49 | 3220.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.31 | 5.31 | 4930.0 | 1 |
| Glandular kallikrein CHEMBL3243909 | Ki | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 3220.0 | nM | 5.49 | Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-ar... | 671460 |
| Unchecked | Ki | = | 4930.0 | nM | 5.31 | Competitive reversible inhibition of bovine trypsin using alpha-N-benzoyl-DL-arg... | 671460 |
| Glandular kallikrein | Ki | = | 18100.0 | nM | 4.74 | Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N... | 671460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510102 | 10.1021/jm00064a008 | Nucleic Acid | 4 |
| 671460 | 10.1021/jm00205a005 | Plasma | 3 |
| 8510102 | 10.1021/jm00064a008 | Calf thymus DNA | 1 |
| 671460 | 10.1021/jm00205a005 | Unchecked | 1 |
| 671460 | 10.1021/jm00205a005 | Glandular kallikrein | 1 |
| 671460 | 10.1021/jm00205a005 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine