Compound Detail
CHEMBL4227872
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Basic Information
| ChEMBL ID | CHEMBL4227872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXMBKOUXWRSYEU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.65
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptococcus neoformans CHEMBL365 | IC50 | 5.14 | 4.975 | 7170.0 | 2 |
| Histoplasma capsulatum CHEMBL614625 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cryptococcus neoformans | IC50 | = | 7170.0 | nM | 5.14 | Antifungal activity against wild type fluconazole-sensitive Cryptococcus neoform... | 29580849 |
| Cryptococcus neoformans | IC50 | = | 15570.0 | nM | 4.81 | Antifungal activity against wild type fluconazole-sensitive Cryptococcus neoform... | 29580849 |
| Histoplasma capsulatum | IC50 | = | 18300.0 | nM | 4.74 | Antifungal activity against Histoplasma capsulatum G217B ATCC 26032 at pH 7 meas... | 29580849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29580849 | 10.1016/j.bmc.2018.01.024 | Histoplasma capsulatum | 4 |
| 29580849 | 10.1016/j.bmc.2018.01.024 | Cryptococcus neoformans | 4 |
| 29580849 | 10.1016/j.bmc.2018.01.024 | No relevant target | 3 |
| 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