Compound Detail
CHEMBL3415945
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Nc1nc(N)c2cc(N(Cc3ccc(OC(F)(F)F)cc3)Cc3ccc(OC(F)(F)F)cc3)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL3415945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHYPWZPDJJXHRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
523.4
MW (Da)
5.80
ALogP
7
HBA
2
HBD
99.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.47 | 4.47 | 33910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 33910.0 | nM | 4.47 | Antioxidant activity assessed as inhibition of ABTS free radical scavenging acti... | 25899334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Trypanosoma cruzi | 2 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Plasmodium berghei | 2 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Leishmania mexicana | 1 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Vero | 1 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine