Compound Detail
CHEMBL1883668
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Basic Information
| ChEMBL ID | CHEMBL1883668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZMJNZRTRWPJFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
0.70
ALogP
6
HBA
2
HBD
121.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pteridine reductase 1 CHEMBL6194 | Kd | 6.58 | 6.58 | 261.5 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | Kd | 4.8 | 4.8 | 15810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pteridine reductase 1 | Kd | = | 261.5 | nM | 6.58 | Binding affinity to Leishmania major pteridine reductase 1 | 25576738 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | Kd | = | 15810.0 | nM | 4.8 | Binding affinity to Leishmania major DHFR | 25576738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25576738 | 10.1016/j.ejmech.2014.12.051 | Pteridine reductase 1 | 1 |
| 25576738 | 10.1016/j.ejmech.2014.12.051 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine