Compound Detail
CHEMBL459306
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Basic Information
| ChEMBL ID | CHEMBL459306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STLROCJHRRQOKA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.70
ALogP
6
HBA
2
HBD
114.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
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 | 5.22 | 5.22 | 6000.0 | 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 | = | 6000.0 | nM | 5.22 | 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