Compound Detail
CHEMBL4228173
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Basic Information
| ChEMBL ID | CHEMBL4228173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAGBYRKHFNSYHB-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
5.47
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptococcus neoformans CHEMBL365 | IC50 | 6.7 | 6.595 | 200.0 | 4 |
| Histoplasma capsulatum CHEMBL614625 | IC50 | 6.7 | 6.28 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histoplasma capsulatum | IC50 | = | 200.0 | nM | 6.7 | Antifungal activity against Histoplasma capsulatum G217B ATCC 26032 at pH 7 meas... | 29580849 |
| Cryptococcus neoformans | IC50 | = | 200.0 | nM | 6.7 | Antifungal activity against fluconazole-resistant Cryptococcus neoformans seroty... | 29580849 |
| Cryptococcus neoformans | IC50 | = | 230.0 | nM | 6.64 | Antifungal activity against fluconazole-resistant Cryptococcus neoformans seroty... | 29580849 |
| Cryptococcus neoformans | IC50 | = | 270.0 | nM | 6.57 | Antifungal activity against wild-type fluconazole-sensitive Cryptococcus neoform... | 29580849 |
| Cryptococcus neoformans | IC50 | = | 340.0 | nM | 6.47 | Antifungal activity against wild type fluconazole-sensitive Cryptococcus neoform... | 29580849 |
| Histoplasma capsulatum | IC50 | = | 1380.0 | nM | 5.86 | Antifungal activity against RFP expressing Histoplasma capsulatum infected in La... | 29580849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29580849 | 10.1016/j.bmc.2018.01.024 | Cryptococcus neoformans | 8 |
| 29580849 | 10.1016/j.bmc.2018.01.024 | Histoplasma capsulatum | 4 |
| 29580849 | 10.1016/j.bmc.2018.01.024 | ADMET | 2 |
| 29580849 | 10.1016/j.bmc.2018.01.024 | P388D1 | 1 |
Data from ChEMBL 36 via Core Engine