Compound Detail
CHEMBL376528
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(S(=O)(=O)N/N=C2/C=C3CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL376528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDENTDVQTUHVQO-YEDBHZBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.9
MW (Da)
8.67
ALogP
3
HBA
1
HBD
58.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC | IC50 | = | 9600.0 | nM | 5.02 | 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