Compound Detail
CHEMBL3431357
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Cn1cc(CN2CCN(c3ccc4c(c3)CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC4)CC2)cn1
Basic Information
| ChEMBL ID | CHEMBL3431357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLOFCJHITLRHMU-IZLXSDGUSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
3.47
ALogP
5
HBA
0
HBD
44.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.2 | 5.475 | 631.0 | 4 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.1 | 5.475 | 794.3 | 4 |
| Sterol 14-alpha demethylase CHEMBL1075110 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.6 | 4.5 | 25118.9 | 2 |
| HepG2 CHEMBL395 | IC50 | 4.3 | 4.3 | 50118.7 | 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 | NIH3T3 | 1 |
| - | 10.6019/CHEMBL3430912 | Sterol 14-alpha demethylase | 1 |
Data from ChEMBL 36 via Core Engine