Compound Detail
CHEMBL4228657
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Basic Information
| ChEMBL ID | CHEMBL4228657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVWPDPSEPFLPQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.58
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histoplasma capsulatum CHEMBL614625 | IC50 | 4.8 | 4.8 | 15670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histoplasma capsulatum | IC50 | = | 15670.0 | nM | 4.8 | Antifungal activity against Histoplasma capsulatum G217B ATCC 26032 at pH 5 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