Compound Detail
CHEMBL5808733
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Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5808733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOALVVBPJLSNEQ-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
576.7
MW (Da)
5.83
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | Ki | 4.48 | 4.48 | 33000.0 | 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 | = | 33000.0 | nM | 4.48 | Chromatin Immunoprecipitation (CHIP): ChIP assay was performed using EZ ChIP Kit... | - |
Data from ChEMBL 36 via Core Engine