Compound Detail
CHEMBL238845
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Basic Information
| ChEMBL ID | CHEMBL238845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSRJSISNDPOJOP-BBRMVZONSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.01
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.08 | 4.08 | 83700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 83700.0 | nM | 4.08 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23743282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26248805 | 10.1016/j.bmcl.2015.07.076 | ADMET | 3 |
| 26248805 | 10.1016/j.bmcl.2015.07.076 | No relevant target | 3 |
| 26248805 | 10.1016/j.bmcl.2015.07.076 | NON-PROTEIN TARGET | 3 |
| 28236591 | 10.1016/j.bmcl.2017.01.078 | Solute carrier family 2, facilitated glucose transporter member 4 | 1 |
| 30776692 | 10.1016/j.ejmech.2019.01.044 | Proteasome Macropain subunit MB1 | 1 |
| - | 10.6019/CHEMBL4296183 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296183 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296183 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296183 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296183 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296183 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296183 | Pseudomonas aeruginosa | 1 |
| 9322358 | 10.1021/np970236p | Quinone oxidoreductase | 1 |
| 23743282 | 10.1016/j.bmcl.2013.04.032 | NON-PROTEIN TARGET | 1 |
| 23743282 | 10.1016/j.bmcl.2013.04.032 | ADMET | 1 |
| 9322358 | 10.1021/np970236p | Unchecked | 1 |
| 9322358 | 10.1021/np970236p | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine