Compound Detail
CHEMBL2151419
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O=C([O-])C1Cc2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])cc2CN1C(=O)CCc1cc(OS(=O)(=O)[O-])ccc1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2151419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRAMALOIUZVUOR-UHFFFAOYSA-I |
| Parent Compound | CHEMBL2220928 |
| Active Moiety | CHEMBL2220928 |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
693.6
MW (Da)
-0.62
ALogP
14
HBA
5
HBD
312.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21800826 | 10.1021/jm2008387 | Unchecked | 3 |
| 21800826 | 10.1021/jm2008387 | Coagulation factor X | 2 |
| 21800826 | 10.1021/jm2008387 | HepG2 | 1 |
| 21800826 | 10.1021/jm2008387 | A549 | 1 |
| 23316863 | 10.1021/jm301338q | Coagulation factor XI | 1 |
Data from ChEMBL 36 via Core Engine