Compound Detail
CHEMBL60029
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Basic Information
| ChEMBL ID | CHEMBL60029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQPXBKQHMJVIHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
1.79
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 650.0 | nM | 6.19 | Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherich... | 3312605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3312605 | 10.1021/jm00394a012 | Dihydrofolate reductase | 2 |
| 3312605 | 10.1021/jm00394a012 | Staphylococcus aureus | 1 |
| 3312605 | 10.1021/jm00394a012 | Klebsiella pneumoniae | 1 |
| 3312605 | 10.1021/jm00394a012 | Salmonella | 1 |
| 3312605 | 10.1021/jm00394a012 | Escherichia coli | 1 |
| 3312605 | 10.1021/jm00394a012 | Shigella flexneri | 1 |
| 3312605 | 10.1021/jm00394a012 | Klebsiella aerogenes | 1 |
| 3312605 | 10.1021/jm00394a012 | Proteus vulgaris | 1 |
Data from ChEMBL 36 via Core Engine