Compound Detail
CHEMBL2376692
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Basic Information
| ChEMBL ID | CHEMBL2376692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCCMKJAXOIFTHH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
5.84
ALogP
1
HBA
2
HBD
40.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.04 | 5.04 | 9060.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 4.45 | 4.45 | 35450.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.26 | 4.155 | 54900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 9060.0 | nM | 5.04 | Antibacterial activity against Staphylococcus aureus ATCC 29213 by CLSI method | 23517732 |
| Cryptococcus neoformans | IC50 | = | 35450.0 | nM | 4.45 | Antifungal activity against Cryptococcus neoformans ATCC 90113 by CLSI method | 23517732 |
| Leishmania donovani | IC50 | = | 54900.0 | nM | 4.26 | Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigote... | 37859718 |
| Leishmania donovani | IC50 | = | 89030.0 | nM | 4.05 | Antileishmanial activity against promastigote of Leishmania donovani after 72 hr... | 23517732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Staphylococcus aureus | 6 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Leishmania donovani | 4 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 4 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Mycobacterium intracellulare | 3 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Cryptococcus neoformans | 3 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Vero | 1 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Aspergillus fumigatus | 1 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Candida albicans | 1 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 1 |
| 37859718 | 10.1039/d3md00214d | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine