Compound Detail
CHEMBL4853879
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Basic Information
| ChEMBL ID | CHEMBL4853879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAQOLZHFASVTBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
2.43
ALogP
6
HBA
4
HBD
139.3
PSA (Ų)
0.14
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 12900.0 | nM | 4.89 | Binding affinity to Fe3+ assessed as compound-Fe3+ complex formation incubated f... | 33983744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33983744 | 10.1021/acs.jnatprod.1c00061 | Staphylococcus aureus | 2 |
| 33983744 | 10.1021/acs.jnatprod.1c00061 | No relevant target | 1 |
| 33983744 | 10.1021/acs.jnatprod.1c00061 | Pseudomonas aeruginosa | 1 |
| 33983744 | 10.1021/acs.jnatprod.1c00061 | Escherichia coli | 1 |
| 33983744 | 10.1021/acs.jnatprod.1c00061 | Candida albicans | 1 |
| 33983744 | 10.1021/acs.jnatprod.1c00061 | Nakaseomyces glabratus | 1 |
| 33983744 | 10.1021/acs.jnatprod.1c00061 | B16 | 1 |
Data from ChEMBL 36 via Core Engine