Compound Detail
CHEMBL3966707
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Basic Information
| ChEMBL ID | CHEMBL3966707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYCVRJDFSWTLON-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.38
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | EC50 | 7.66 | 7.6 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | EC50 | = | 22.0 | nM | 7.66 | Induction of apoptosis in human T47D cells assessed as caspase cascade activatio... | - |
| T47D | EC50 | = | 29.0 | nM | 7.54 | Induction of apoptosis in human T47D cells assessed as caspase cascade activatio... | - |
Data from ChEMBL 36 via Core Engine