Compound Detail
CHEMBL522313
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Basic Information
| ChEMBL ID | CHEMBL522313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZHAPIQWGMQPAK-UONOGXRCSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
1.41
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 27000.0 | nM | 4.57 | Inhibition of human alpha thrombin by surface plasmon resonance assay | 19371038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19371038 | 10.1021/jm8011849 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine