Compound Detail
CHEMBL292621
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Basic Information
| ChEMBL ID | CHEMBL292621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXTWQTKRHYYFRQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
1.40
ALogP
9
HBA
3
HBD
134.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase type 1 CHEMBL2627 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Dihydrofolate reductase CHEMBL3565 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase type 1 | IC50 | = | 220.0 | nM | 6.66 | Inhibitory activity to dihydrofolate reductase in Escherichia coli | 2502632 |
| Dihydrofolate reductase | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae | 2502632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2502632 | 10.1021/jm00128a040 | Dihydrofolate reductase | 2 |
| 2502632 | 10.1021/jm00128a040 | Dihydrofolate reductase type 1 | 1 |
Data from ChEMBL 36 via Core Engine