Compound Detail
CHEMBL2093174
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Basic Information
| ChEMBL ID | CHEMBL2093174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNNYKHKHVTUBKT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
350.6
MW (Da)
3.50
ALogP
5
HBA
2
HBD
54.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brugia malayi CHEMBL613140 | IC50 | 6.07 | 6.07 | 853.0 | 1 |
| Brugia pahangi CHEMBL613141 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brugia malayi | IC50 | = | 853.0 | nM | 6.07 | WHO-TDR: Lymphatic Filariasis | - |
| Brugia pahangi | IC50 | = | 9400.0 | nM | 5.03 | AntiBrugia pahangi activity Average day 3 IC50 (uM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2093137 | Brugia malayi | 3 |
| - | 10.6019/CHEMBL3832761 | Brugia pahangi | 2 |
| - | 10.6019/CHEMBL3832761 | Onchocerca gutturosa | 2 |
| - | 10.6019/CHEMBL3832761 | Onchocerca ochengi | 2 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL2093137 | Schistosoma mansoni | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL3832761 | Onchocerca volvulus | 1 |
| - | 10.6019/CHEMBL3832761 | Onchocerca lienalis | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL2093137 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL2093137 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2093137 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL2093137 | Plasmodium falciparum K1 | 1 |
| - | 10.6019/CHEMBL2093137 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine