Compound Detail
CHEMBL323510
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Basic Information
| ChEMBL ID | CHEMBL323510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLTXETIZXYAOLF-NTCAYCPXSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.91
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.5 | 4.5 | 31300.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.39 | 4.39 | 40500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 12600.0 | nM | 4.9 | Inhibitory concentration against CEM T-lymphocytes | 12086496 |
| P388 | IC50 | = | 17500.0 | nM | 4.76 | Inhibitory activity against Murine P388 cells | 12086496 |
| NON-PROTEIN TARGET | IC50 | = | 31300.0 | nM | 4.5 | Inhibitory concentration against proliferation of human Molt 4/C8 cells | 12086496 |
| L1210 | IC50 | = | 40500.0 | nM | 4.39 | Inhibitory activity against L1210 leukemia cells | 12086496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35447343 | 10.1016/j.bmcl.2022.128743 | Staphylococcus aureus | 5 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Molecular identity unknown | 3 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Escherichia coli | 2 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Salmonella typhimurium | 2 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Enterococcus faecalis | 2 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Unchecked | 2 |
| 12086496 | 10.1021/jm010559p | P388 | 1 |
| 12086496 | 10.1021/jm010559p | L1210 | 1 |
| 12086496 | 10.1021/jm010559p | NON-PROTEIN TARGET | 1 |
| 12086496 | 10.1021/jm010559p | CCRF-CEM | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Pseudomonas aeruginosa | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Candida albicans | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Aspergillus fumigatus | 1 |
| 35447343 | 10.1016/j.bmcl.2022.128743 | Trichophyton rubrum | 1 |
Data from ChEMBL 36 via Core Engine