Compound Detail
CHEMBL3764125
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Basic Information
| ChEMBL ID | CHEMBL3764125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTZCTZDBBMBSNU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.7
MW (Da)
5.35
ALogP
6
HBA
2
HBD
67.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.11 | 5.075 | 7800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 7800.0 | nM | 5.11 | Growth inhibition of human WM115 cells expressing high levels of S100-B by SYBR ... | 26727270 |
| NON-PROTEIN TARGET | EC50 | = | 9200.0 | nM | 5.04 | Growth inhibition of human WM115 cells expressing low levels of S100-B by SYBR G... | 26727270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26727270 | 10.1021/acs.jmedchem.5b01369 | NON-PROTEIN TARGET | 2 |
| 26727270 | 10.1021/acs.jmedchem.5b01369 | Protein S100-B | 2 |
Data from ChEMBL 36 via Core Engine