Compound Detail
CHEMBL5592621
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CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(Cl)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5592621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVONDNFYDPRKFV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
643.1
MW (Da)
6.20
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.45 | 4.3833 | 35500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 35500.0 | nM | 4.45 | Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tag... | 38008341 |
| Signal transducer and activator of transcription 3 | IC50 | = | 41400.0 | nM | 4.38 | Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tag... | 38008341 |
| Signal transducer and activator of transcription 3 | IC50 | = | 48400.0 | nM | 4.32 | Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tag... | 38008341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38008341 | 10.1016/j.bmcl.2023.129565 | Signal transducer and activator of transcription 3 | 3 |
Data from ChEMBL 36 via Core Engine