Compound Detail
CHEMBL358879
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL358879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTXLBWVRVRFUQX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.92
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition against dihydrofolate reductase enzyme of Escherichia coli | 6991695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6991695 | 10.1021/jm00179a012 | Dihydrofolate reductase | 2 |
| 6991695 | 10.1021/jm00179a012 | Streptococcus pyogenes | 2 |
| 6991695 | 10.1021/jm00179a012 | Salmonella | 1 |
| 6991695 | 10.1021/jm00179a012 | Escherichia coli | 1 |
| 6991695 | 10.1021/jm00179a012 | Shigella dysenteriae | 1 |
| 6991695 | 10.1021/jm00179a012 | Proteus vulgaris | 1 |
Data from ChEMBL 36 via Core Engine