Compound Detail
CHEMBL368082
E126 Enter ChEMBL ID:
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O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3c(O)cc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL368082 |
| Name | E126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHKAFWLXWFUMPM-UHFFFAOYSA-J |
| Parent Compound | CHEMBL1207221 |
| Active Moiety | CHEMBL1207221 |
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
634.6
MW (Da)
2.81
ALogP
12
HBA
6
HBD
282.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Unchecked | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine