Compound Detail
CHEMBL579255
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Basic Information
| ChEMBL ID | CHEMBL579255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEBZRVARXHXDTI-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
6.11
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.63 | 5.58 | 2320.0 | 2 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 5.63 | 5.63 | 2320.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.08 | 4.625 | 8350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cryptococcus neoformans | IC50 | = | 2320.0 | nM | 5.63 | Antifungal activity against Cryptococcus neoformans ATCC 90113 by CLSI method | 23517732 |
| Staphylococcus aureus | IC50 | = | 2320.0 | nM | 5.63 | Antibacterial activity against Staphylococcus aureus ATCC 29213 by CLSI method | 23517732 |
| Staphylococcus aureus | IC50 | = | 2930.0 | nM | 5.53 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 23517732 |
| Leishmania donovani | IC50 | = | 8350.0 | nM | 5.08 | Antileishmanial activity against promastigote of Leishmania donovani after 72 hr... | 23517732 |
| Leishmania donovani | IC50 | = | 67400.0 | nM | 4.17 | Antileishmanial activity against axenic amastigote of Leishmania donovani after ... | 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 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Mycobacterium intracellulare | 3 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Cryptococcus neoformans | 3 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | NON-PROTEIN TARGET | 2 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | IGROV-1 | 1 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | UO-31 | 1 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | SK-MEL-2 | 1 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | PC-3 | 1 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | Malme-3M | 1 |
| 19540023 | 10.1016/j.ejmech.2009.05.011 | ADMET | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine