Compound Detail
CHEMBL136947
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Basic Information
| ChEMBL ID | CHEMBL136947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDKXOLMRFOXRNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.2
MW (Da)
4.86
ALogP
3
HBA
1
HBD
20.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 680.0 | nM | 6.17 | In vitro inhibition of Bax regulated release of cytochrome C was determined usin... | 14521400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521400 | 10.1021/jm034107j | HeLa | 4 |
Data from ChEMBL 36 via Core Engine