Compound Detail
CHEMBL4776749
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CCn1cc(C(=O)N[C@H]2C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21
Basic Information
| ChEMBL ID | CHEMBL4776749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXMRELGIHAABHK-PSUKUKEZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
690.7
MW (Da)
0.64
ALogP
14
HBA
1
HBD
189.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | IC50 | 5.27 | 5.27 | 5316.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | IC50 | = | 5316.7 | nM | 5.27 | Cytotoxicity against rat L6 cells assessed as inhibition of cell viability incub... | 32623216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32623216 | 10.1016/j.ejmech.2020.112513 | Escherichia coli | 5 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Staphylococcus aureus | 2 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Stachybotrys chartarum | 2 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Salmonella enterica | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Pseudomonas aeruginosa | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Listeria monocytogenes | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Candida albicans | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Aspergillus flavus | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Fusarium solani | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | Penicillium chrysogenum | 1 |
| 32623216 | 10.1016/j.ejmech.2020.112513 | L6 | 1 |
Data from ChEMBL 36 via Core Engine