Compound Detail
CHEMBL1478187
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Basic Information
| ChEMBL ID | CHEMBL1478187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHRDROHURUMVLJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.25
ALogP
3
HBA
1
HBD
32.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
EC50 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.71 | 6.71 | 197.0 | 1 |
| Protein S100-B CHEMBL4300 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| WM-115 CHEMBL1075611 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 197.0 | nM | 6.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Protein S100-B | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence p... | 23375094 |
| WM-115 | IC50 | = | 4900.0 | nM | 5.31 | Cytotoxicity against human WM115 cells assessed as growth inhibition measured af... | 23375094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23375094 | 10.1016/j.bmc.2012.12.042 | Protein S100-B | 3 |
| 23375094 | 10.1016/j.bmc.2012.12.042 | WM-115 | 1 |
Data from ChEMBL 36 via Core Engine