Compound Detail
CHEMBL222602
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CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccccc2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL222602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFQBOTBDUOOSJB-OCOZRVBESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
3.92
ALogP
8
HBA
2
HBD
157.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC | IC50 | = | 11600.0 | nM | 4.94 | Inhibition of human AICAR Tfase | 15615517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615517 | 10.1021/jm049504o | Bifunctional purine biosynthesis protein ATIC | 1 |
Data from ChEMBL 36 via Core Engine