Compound Detail
CHEMBL1627107
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O=C(Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1627107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVHUBFOOFGTDDN-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1207824 |
| Active Moiety | CHEMBL1207824 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
883.7
MW (Da)
6.45
ALogP
11
HBA
8
HBD
282.7
PSA (Ų)
0.07
QED
4
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin receptor CHEMBL3187 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin receptor | EC50 | = | 5000.0 | nM | 5.3 | Activation of insulin receptor tyrosine kinase in mouse 3T3-L1 cells assessed as... | 18788731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18788731 | 10.1021/jm800600v | 3T3-L1 | 4 |
| 18788731 | 10.1021/jm800600v | Insulin receptor | 3 |
| 18788731 | 10.1021/jm800600v | Rattus norvegicus | 2 |
| 18788731 | 10.1021/jm800600v | Insulin-like growth factor 1 receptor | 1 |
| 18788731 | 10.1021/jm800600v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine