Compound Detail
CHEMBL483978
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Basic Information
| ChEMBL ID | CHEMBL483978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPYWSITZBJYBDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.12
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pteridine reductase, putative CHEMBL5228 | Ki | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pteridine reductase, putative | Ki | = | 9800.0 | nM | 5.01 | Apparent inhibition of Trypanosoma brucei pteridine reductase 1-mediated reducti... | 19527033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19527033 | 10.1021/jm900414x | Pteridine reductase, putative | 1 |
| 19527033 | 10.1021/jm900414x | Dihydrofolate reductase-thymidylate synthase | 1 |
| 19527033 | 10.1021/jm900414x | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine