Compound Detail
CHEMBL3407750
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Basic Information
| ChEMBL ID | CHEMBL3407750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZKJITYVVLNMNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
3.22
ALogP
9
HBA
1
HBD
105.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.66 | 4.66 | 21770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 11500.0 | nM | 4.94 | Cytotoxicity against mouse B16 cells assessed as cell viability after 48 hrs by ... | 25659770 |
| Leishmania amazonensis | IC50 | = | 21770.0 | nM | 4.66 | Leishmanicidal activity against promastigote stage of Leishmania amazonensis MHO... | 25659770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25659770 | 10.1016/j.ejmech.2015.01.012 | L6 | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Trypanosoma brucei gambiense | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | B16 | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | NON-PROTEIN TARGET | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Leishmania amazonensis | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine