Compound Detail
CHEMBL3431363
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CC(=O)Nc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OCC3=O)CC2)cc1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3431363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWQXGMHVDXGALR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3546667 |
| Active Moiety | CHEMBL3546667 |
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.41
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.5 | 6.45 | 316.2 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 6.3 | 5.0 | 501.2 | 4 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.9 | 4.7 | 12589.2 | 3 |
| HepG2 CHEMBL395 | IC50 | 4.1 | 4.1 | 79432.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3430912 | Leishmania donovani | 4 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma cruzi | 4 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL3430912 | HepG2 | 1 |
| - | 10.6019/CHEMBL3430912 | Sterol 14-alpha demethylase | 1 |
Data from ChEMBL 36 via Core Engine