Compound Detail
CHEMBL476429
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Basic Information
| ChEMBL ID | CHEMBL476429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGPGOQPYJVVKEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.07
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NH(3)-dependent NAD(+) synthetase CHEMBL5271 | IC50 | 4.21 | 4.21 | 61800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NH(3)-dependent NAD(+) synthetase | IC50 | = | 61800.0 | nM | 4.21 | Inhibition of Bacillus anthracis NAD synthetase | 19249205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249205 | 10.1016/j.bmcl.2009.02.034 | NH(3)-dependent NAD(+) synthetase | 1 |
| 19249205 | 10.1016/j.bmcl.2009.02.034 | Bacillus anthracis | 1 |
Data from ChEMBL 36 via Core Engine