Compound Detail
CHEMBL339835
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Basic Information
| ChEMBL ID | CHEMBL339835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXQRHIPYRUMSHM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
1.01
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.64 | 4.64 | 22900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | IC50 | = | 7400.0 | nM | 5.13 | Inhibitory concentration against Bcl-xl | 13678404 |
| HeLa | IC50 | = | 22900.0 | nM | 4.64 | Inhibitory concentration in HeLa cells | 13678404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678404 | 10.1021/jm030190z | Bcl-2-like protein 1 | 1 |
| 13678404 | 10.1021/jm030190z | HeLa | 1 |
Data from ChEMBL 36 via Core Engine