Compound Detail
CHEMBL484995
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Basic Information
| ChEMBL ID | CHEMBL484995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFVMZMBFRZPOFF-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
5.64
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pteridine reductase, putative CHEMBL5228 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pteridine reductase, putative | Ki | = | 7.0 | nM | 8.15 | Apparent inhibition of Trypanosoma brucei pteridine reductase 1-mediated reducti... | 19527033 |
| Unchecked | Ki | = | 7.0 | nM | 8.15 | Inhibition of Trypanosoma brucei PTR1 | 25072876 |
| Trypanosoma brucei | EC50 | = | 10000.0 | nM | 5.0 | Antitrypanosomal activity against Trypanosoma brucei by cell culture assay | 19527033 |
| Trypanosoma brucei | EC50 | = | 10000.0 | nM | 5.0 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei assess... | 25072876 |
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 |
| 19527033 | 10.1021/jm900414x | No relevant target | 1 |
| 19527033 | 10.1021/jm900414x | Trypanosoma brucei | 1 |
| 25072876 | 10.1016/j.ejmech.2014.07.092 | Unchecked | 1 |
| 25072876 | 10.1016/j.ejmech.2014.07.092 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine