Compound Detail
CHEMBL340759
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Basic Information
| ChEMBL ID | CHEMBL340759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCHHMUFTBNHQPW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1184243 |
| Active Moiety | CHEMBL1184243 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
0.69
ALogP
6
HBA
2
HBD
96.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against Dihydrofolate reductase enzyme purified from Escheri... | 6991692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6991692 | 10.1021/jm00178a007 | Dihydrofolate reductase | 2 |
| 6991692 | 10.1021/jm00178a007 | Streptococcus pyogenes | 1 |
| 6991692 | 10.1021/jm00178a007 | Staphylococcus aureus | 1 |
| 6991692 | 10.1021/jm00178a007 | Salmonella | 1 |
| 6991692 | 10.1021/jm00178a007 | Escherichia coli | 1 |
| 6991692 | 10.1021/jm00178a007 | Klebsiella pneumoniae | 1 |
| 6991692 | 10.1021/jm00178a007 | Shigella dysenteriae | 1 |
| 6991692 | 10.1021/jm00178a007 | Proteus vulgaris | 1 |
Data from ChEMBL 36 via Core Engine