Compound Detail
CHEMBL500606
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O=C(Nc1ccc2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3ccc(Cl)c(S(=O)(=O)[O-])c3)cc2c1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL500606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUDXOZDAGMICDL-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1208143 |
| Active Moiety | CHEMBL1208143 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
851.8
MW (Da)
7.04
ALogP
9
HBA
6
HBD
242.2
PSA (Ų)
0.08
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin receptor CHEMBL3187 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin receptor | EC50 | = | 6000.0 | nM | 5.22 | 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 | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine