Compound Detail
CHEMBL2335383
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Basic Information
| ChEMBL ID | CHEMBL2335383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUANRVOPAVWOIK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
0.47
ALogP
5
HBA
1
HBD
62.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein S100-B CHEMBL4300 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
| Protein S100-B CHEMBL4300 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein S100-B | Ki | = | 3600.0 | nM | 5.44 | Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence p... | 23375094 |
| Protein S100-B | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence p... | 23375094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23375094 | 10.1016/j.bmc.2012.12.042 | Protein S100-B | 2 |
| 23375094 | 10.1016/j.bmc.2012.12.042 | WM-115 | 1 |
Data from ChEMBL 36 via Core Engine