Compound Detail
CHEMBL4228796
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Basic Information
| ChEMBL ID | CHEMBL4228796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CACMLCFWBHZDEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
5.78
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histoplasma capsulatum CHEMBL614625 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| P388D1 CHEMBL4296483 | IC50 | 4.75 | 4.75 | 17750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histoplasma capsulatum | IC50 | = | 400.0 | nM | 6.4 | Antifungal activity against Histoplasma capsulatum G217B ATCC 26032 at pH 7 meas... | 29580849 |
| P388D1 | IC50 | = | 17750.0 | nM | 4.75 | Cytotoxicity against mouse P388D1 cells assessed as reduction in cell viability ... | 29580849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29580849 | 10.1016/j.bmc.2018.01.024 | Histoplasma capsulatum | 2 |
| 29580849 | 10.1016/j.bmc.2018.01.024 | Cryptococcus neoformans | 2 |
| 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