Compound Detail
CHEMBL2023988
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Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCN(c4ccc(C(N)=O)cc4)CC3)cc2)c2ccc(C(=O)O)c(O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL2023988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNSKABVPQWBANT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
670.8
MW (Da)
4.74
ALogP
7
HBA
3
HBD
161.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5B CHEMBL5817 | Ki | 5.0 | 5.0 | 10100.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | Ki | 4.75 | 4.75 | 17600.0 | 1 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | Ki | 4.56 | 4.56 | 27800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5B | Ki | = | 10100.0 | nM | 5.0 | Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domai... | 22148584 |
| Signal transducer and activator of transcription 3 | Ki | = | 17600.0 | nM | 4.75 | Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the int... | 22148584 |
| Signal transducer and activator of transcription 1-alpha/beta | Ki | = | 27800.0 | nM | 4.56 | Displacement of radioligand from the STAT1 after 15 mins by fluorescent polariza... | 22148584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148584 | 10.1021/jm200720n | Signal transducer and activator of transcription 5B | 1 |
| 22148584 | 10.1021/jm200720n | Signal transducer and activator of transcription 3 | 1 |
| 22148584 | 10.1021/jm200720n | Signal transducer and activator of transcription 1-alpha/beta | 1 |
Data from ChEMBL 36 via Core Engine