Compound Detail
CHEMBL4448902
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O=S(=O)([O-])c1cc(Oc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2O)c(O)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL4448902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGUQKPVRLJDIGQ-UHFFFAOYSA-J |
| Parent Compound | CHEMBL4596572 |
| Active Moiety | CHEMBL4596572 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
-0.12
ALogP
11
HBA
6
HBD
267.2
PSA (Ų)
0.27
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 5 CHEMBL1250380 | IC50 | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 5 | IC50 | = | 26400.0 | nM | 4.58 | Inhibition of N-terminal hexa-histidine-tagged wild type DUSP5 phosphatase domai... | - |
Data from ChEMBL 36 via Core Engine