Compound Detail
CHEMBL3318803
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Basic Information
| ChEMBL ID | CHEMBL3318803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEOTWBKRAWDNPV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
1.79
ALogP
4
HBA
3
HBD
93.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.39 | 4.39 | 41010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 400.0 | nM | 6.4 | Inhibition of recombinant Trypanosoma brucei PTR1 using dihydrobiopterin and NAD... | 25007262 |
| Trypanosoma brucei brucei | IC50 | = | 41010.0 | nM | 4.39 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei brucei... | 25007262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25007262 | 10.1021/jm500483b | Trypanosoma brucei brucei | 2 |
| 25007262 | 10.1021/jm500483b | Unchecked | 1 |
| 25007262 | 10.1021/jm500483b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine