Compound Detail
CHEMBL4128335
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Basic Information
| ChEMBL ID | CHEMBL4128335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVGSGFQWZGJBDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
4.36
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 4.38 | 4.38 | 41600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 41600.0 | nM | 4.38 | Cytotoxicity against human CEM cells assessed as decrease in cell viability afte... | 29778528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29778528 | 10.1016/j.bmc.2018.05.015 | Escherichia coli | 10 |
| 29778528 | 10.1016/j.bmc.2018.05.015 | Pseudomonas aeruginosa | 7 |
| 29778528 | 10.1016/j.bmc.2018.05.015 | Bacillus cereus | 2 |
| 29778528 | 10.1016/j.bmc.2018.05.015 | Staphylococcus aureus | 2 |
| 29778528 | 10.1016/j.bmc.2018.05.015 | Vero | 1 |
| 29778528 | 10.1016/j.bmc.2018.05.015 | CCRF-CEM | 1 |
| 29778528 | 10.1016/j.bmc.2018.05.015 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine