Compound Detail
CHEMBL85364
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Basic Information
| ChEMBL ID | CHEMBL85364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXQILUPNLGVNIF-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.7
MW (Da)
0.83
ALogP
2
HBA
4
HBD
124.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.5 | 6.355 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 65.0 | nM | 7.19 | Inhibition constant against Dihydrofolate reductase | 12852950 |
| Dihydrofolate reductase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihy... | 12852950 |
| Dihydrofolate reductase | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dih... | 12852950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852950 | 10.1016/s0960-894x(03)00480-3 | Dihydrofolate reductase | 4 |
Data from ChEMBL 36 via Core Engine