Compound Detail
CHEMBL2151424
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O=S(=O)([O-])Oc1cc2c(c(OS(=O)(=O)[O-])c1)C[C@@H](OS(=O)(=O)[O-])[C@@H](c1ccc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c1)O2.[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2151424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCFYFBINMDIMBZ-UXWXUAOESA-I |
| Parent Compound | CHEMBL1159792 |
| Active Moiety | CHEMBL1159792 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
690.6
MW (Da)
-0.72
ALogP
16
HBA
5
HBD
327.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 10500.0 | nM | 4.98 | Binding affinity to human plasma antithrombin assessed as decrease in intrinsic ... | 21800826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21800826 | 10.1021/jm2008387 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine