Compound Detail
CHEMBL3220518
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Basic Information
| ChEMBL ID | CHEMBL3220518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDBFSNFHAJCECI-NSCUHMNNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.57
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.15 | 5.15 | 7010.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 4.87 | 4.87 | 13370.0 | 1 |
| Pichia kudriavzevii CHEMBL612841 | IC50 | 4.62 | 4.62 | 24060.0 | 1 |
| Nakaseomyces glabratus CHEMBL612647 | IC50 | 4.46 | 4.46 | 34990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 7010.0 | nM | 5.15 | Antiparasitic activity against Leishmania donovani S1 promastigotes assessed as ... | - |
| Cryptococcus neoformans | IC50 | = | 13370.0 | nM | 4.87 | Antifungal activity against Cryptococcus neoformans ATCC 90113 assessed as growt... | - |
| Pichia kudriavzevii | IC50 | = | 24060.0 | nM | 4.62 | Antifungal activity against Candida krusei ATCC 6258 assessed as growth inhibiti... | - |
| Nakaseomyces glabratus | IC50 | = | 34990.0 | nM | 4.46 | Antifungal activity against Candida glabrata ATCC 90030 assessed as growth inhib... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20143G | Leishmania donovani | 2 |
| - | 10.1039/C2MD20143G | Plasmodium falciparum | 2 |
| - | 10.1039/C2MD20143G | Nakaseomyces glabratus | 1 |
| - | 10.1039/C2MD20143G | Pichia kudriavzevii | 1 |
| - | 10.1039/C2MD20143G | Cryptococcus neoformans | 1 |
| - | 10.1039/C2MD20143G | Vero | 1 |
| - | 10.1039/C2MD20143G | Candida albicans | 1 |
| - | 10.1039/C2MD20143G | Aspergillus fumigatus | 1 |
Data from ChEMBL 36 via Core Engine