Compound Detail
CHEMBL375938
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
Basic Information
| ChEMBL ID | CHEMBL375938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJYDTRSKIYLDEE-GHVJWSGMSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.30
ALogP
6
HBA
2
HBD
139.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Ki 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | Ki | 6.81 | 6.81 | 154.0 | 1 |
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC | Ki | = | 154.0 | nM | 6.81 | Inhibition of human AICAR Tfase | 15615517 |
| Bifunctional purine biosynthesis protein ATIC | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human AICAR Tfase | 15615517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615517 | 10.1021/jm049504o | Bifunctional purine biosynthesis protein ATIC | 2 |
Data from ChEMBL 36 via Core Engine