Compound Detail
CHEMBL3220306
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Basic Information
| ChEMBL ID | CHEMBL3220306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBOJIVBVQWMTMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.37
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.99 | 4.99 | 10250.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 4.84 | 4.84 | 14450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 10250.0 | nM | 4.99 | Antiparasitic activity against Leishmania donovani S1 promastigotes assessed as ... | - |
| Cryptococcus neoformans | IC50 | = | 14450.0 | nM | 4.84 | Antifungal activity against Cryptococcus neoformans ATCC 90113 assessed as growt... | - |
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