Compound Detail
CHEMBL2431987
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C=CCN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Basic Information
| ChEMBL ID | CHEMBL2431987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBKSSWDVONPGBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.7
MW (Da)
5.86
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | Ki | 4.55 | 4.55 | 27900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | Ki | = | 27900.0 | nM | 4.55 | Chromatin Immunoprecipitation (CHIP): ChIP assay was performed using EZ ChIP Kit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23968501 | 10.1021/jm3017255 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine