Compound Detail
CHEMBL4166601
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Basic Information
| ChEMBL ID | CHEMBL4166601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEPDCWJHGWZSMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.63
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 72000.0 | nM | 4.14 | Inhibition of fungal FcyB expressed in Aspergillus nidulans assessed as reductio... | 30006169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006169 | 10.1016/j.ejmech.2018.06.038 | Unchecked | 2 |
| 30006169 | 10.1016/j.ejmech.2018.06.038 | Uric acid-xanthine permease | 1 |
| 30006169 | 10.1016/j.ejmech.2018.06.038 | Uncharacterized protein | 1 |
Data from ChEMBL 36 via Core Engine