Compound Detail
CHEMBL2398266
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C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])c(C(=O)O)c2)o1
Basic Information
| ChEMBL ID | CHEMBL2398266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWSLINMGMAAMNG-SSDVNMTOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
5.00
ALogP
8
HBA
2
HBD
130.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | IC50 | = | 1800.0 | nM | 5.75 | Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay | 23767404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23767404 | 10.1021/jm400556w | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine