Compound Detail
CHEMBL135650
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Basic Information
| ChEMBL ID | CHEMBL135650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTPROVBMMOQGSS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
1.49
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ZR-75-1 CHEMBL614393 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.29 | 4.29 | 51500.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ZR-75-1 | IC50 | = | 50000.0 | nM | 4.3 | Inhibitory concentration in ZR-75-1 cells | 13678404 |
| HeLa | IC50 | = | 51500.0 | nM | 4.29 | Inhibitory concentration in HeLa cells | 13678404 |
| Bcl-2-like protein 1 | IC50 | = | 73000.0 | nM | 4.14 | Inhibitory concentration against Bcl-xl | 13678404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678404 | 10.1021/jm030190z | Bcl-2-like protein 1 | 1 |
| 13678404 | 10.1021/jm030190z | HeLa | 1 |
| 13678404 | 10.1021/jm030190z | No relevant target | 1 |
| 13678404 | 10.1021/jm030190z | ZR-75-1 | 1 |
Data from ChEMBL 36 via Core Engine