Compound Detail
CHEMBL459933
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 | CHEMBL459933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFWGXGWFVIRPEA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
4.57
ALogP
7
HBA
0
HBD
68.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP phosphoribosyltransferase CHEMBL6086 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| ATP phosphoribosyltransferase CHEMBL6086 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP phosphoribosyltransferase | Ki | = | 2000.0 | nM | 5.7 | Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP pro... | 18778048 |
| ATP phosphoribosyltransferase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP pro... | 18778048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18778048 | 10.1021/jm800328v | ATP phosphoribosyltransferase | 4 |
Data from ChEMBL 36 via Core Engine