Compound Detail
CHEMBL4561067
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C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2ccc(S(=O)(=O)NC(=O)CCCCCc3ccccc3)cc2)o1
Basic Information
| ChEMBL ID | CHEMBL4561067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYHRVAJESAVFLT-STKMKYKTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
7.00
ALogP
8
HBA
2
HBD
113.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | Inhibition of human GST-tagged BCL-XL deltaC25 mutant using biotinylated BIM 26-... | 31580668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580668 | 10.1021/acs.jmedchem.9b00983 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine