Compound Detail
CHEMBL2441852
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Basic Information
| ChEMBL ID | CHEMBL2441852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSVQOQVCEXVEQU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3041306 |
| Active Moiety | CHEMBL3041306 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
439.1
MW (Da)
8.21
ALogP
1
HBA
0
HBD
3.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptococcus neoformans CHEMBL365 | IC50 | 7.06 | 7.055 | 88.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cryptococcus neoformans | IC50 | = | 88.0 | nM | 7.06 | Antifungal activity against Cryptococcus neoformans ATCC 90113 by CLSI method | 24080102 |
| Cryptococcus neoformans | IC50 | = | 88.31 | nM | 7.05 | Antifungal activity against Cryptococcus neoformans ATCC 90113 by CLSI method | 24080102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Staphylococcus aureus | 6 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Pichia kudriavzevii | 5 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Saccharomyces cerevisiae | 5 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Cryptococcus neoformans | 4 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Nakaseomyces glabratus | 3 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Aspergillus fumigatus | 3 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Candida albicans | 3 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Mycobacterium intracellulare | 3 |
| 24080102 | 10.1016/j.bmc.2013.08.043 | Cryptococcus neoformans | 2 |
| 24080102 | 10.1016/j.bmc.2013.08.043 | Vero | 1 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Unchecked | 1 |
| 24141203 | 10.1016/j.ejmech.2013.09.044 | Vero | 1 |
Data from ChEMBL 36 via Core Engine