Compound Detail
CHEMBL4463875
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Basic Information
| ChEMBL ID | CHEMBL4463875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDSPSYJWGHPIAZ-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.78
ALogP
3
HBA
4
HBD
103.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| IEC-6 CHEMBL4296440 | EC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| IEC-6 | EC50 | = | 75.0 | nM | 7.12 | Inhibition of apoptosis in rat IEC-6 cells assessed as decrease in CPT-induced D... | 30409535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30409535 | 10.1016/j.bmcl.2018.10.042 | IEC-6 | 2 |
Data from ChEMBL 36 via Core Engine