Compound Detail
CHEMBL142844
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Basic Information
| ChEMBL ID | CHEMBL142844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUOSUXKIGQANEH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
2.41
ALogP
3
HBA
1
HBD
60.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.23 | 4.8425 | 5920.0 | 4 |
| Dihydropteroate synthetase, putative CHEMBL1741265 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5920.0 | nM | 5.23 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu... | 14695838 |
| Unchecked | IC50 | = | 8080.0 | nM | 5.09 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu... | 14695838 |
| Unchecked | IC50 | = | 10110.0 | nM | 5.0 | Inhibitory activity against dihydropteroic acid synthase (SYN) from candida albi... | 14695838 |
| Dihydropteroate synthetase, putative | IC50 | = | 48000.0 | nM | 4.32 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium b... | 14695838 |
| Unchecked | IC50 | = | 89850.0 | nM | 4.05 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Escherichia ... | 14695838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695838 | 10.1021/jm030931w | Unchecked | 4 |
| 14695838 | 10.1021/jm030931w | Dihydropteroate synthetase, putative | 1 |
| 3572979 | 10.1021/jm00388a026 | Unchecked | 1 |
| 3546688 | 10.1021/jm00386a004 | Dihydropteroate synthase | 1 |
Data from ChEMBL 36 via Core Engine