Compound Detail
CHEMBL4104564
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Basic Information
| ChEMBL ID | CHEMBL4104564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVOTWMMYPZYYGI-QPEQYQDCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.43
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida tropicalis CHEMBL612870 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Nakaseomyces glabratus CHEMBL612647 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida tropicalis | IC50 | = | 10000.0 | nM | 5.0 | Antifungal activity against Candida tropicalis ATCC 750 after 24 hrs by PrestoBl... | 28094180 |
| Nakaseomyces glabratus | IC50 | = | 11000.0 | nM | 4.96 | Antifungal activity against Candida glabrata ATCC 66032 after 24 hrs by PrestoBl... | 28094180 |
| Candida albicans | IC50 | = | 16000.0 | nM | 4.8 | Antifungal activity against Candida albicans ATCC 90028 after 24 hrs by PrestoBl... | 28094180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28094180 | 10.1016/j.bmcl.2017.01.012 | Candida albicans | 5 |
| 28094180 | 10.1016/j.bmcl.2017.01.012 | Nakaseomyces glabratus | 1 |
| 28094180 | 10.1016/j.bmcl.2017.01.012 | Candida tropicalis | 1 |
Data from ChEMBL 36 via Core Engine