Compound Detail
CHEMBL172231
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Basic Information
| ChEMBL ID | CHEMBL172231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAECCKZRPUQFOT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
0.71
ALogP
5
HBA
3
HBD
115.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.02 | 4.96 | 9600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9600.0 | nM | 5.02 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu... | 14695838 |
| Unchecked | IC50 | = | 12720.0 | nM | 4.9 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu... | 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 |
Data from ChEMBL 36 via Core Engine