Compound Detail
CHEMBL3634634
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Basic Information
| ChEMBL ID | CHEMBL3634634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFRWRNQNACDMJY-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
0.33
ALogP
6
HBA
3
HBD
106.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas.
Ki 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | Ki | 4.41 | 4.41 | 39300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 39300.0 | nM | 4.41 | Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morr... | 26414808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26414808 | 10.1016/j.ejmech.2015.08.021 | Dihydrofolate reductase | 4 |
Data from ChEMBL 36 via Core Engine