Compound Detail
CHEMBL4082141
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O.O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL4082141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLINBQMOKZJBEC-UHFFFAOYSA-H |
| Parent Compound | CHEMBL1206126 |
| Active Moiety | CHEMBL1206126 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1031.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5A CHEMBL5403 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Signal transducer and activator of transcription 5B CHEMBL5817 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Signal transducer and activator of transcription 1-alpha/beta CHEMBL6101 | IC50 | 4.48 | 4.48 | 33200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5A | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to C-terminal 6x-His-tag... | 28624143 |
| Signal transducer and activator of transcription 5B | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to STAT5B SH2 domain (un... | 28624143 |
| Signal transducer and activator of transcription 1-alpha/beta | IC50 | = | 33200.0 | nM | 4.48 | Inhibition of 5-carboxyfluorescein-GpYDKPHVL-OH binding to STAT1 (unknown origin... | 28624143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28624143 | 10.1016/j.bmcl.2017.06.012 | Signal transducer and activator of transcription 5A | 2 |
| 28624143 | 10.1016/j.bmcl.2017.06.012 | Signal transducer and activator of transcription 5B | 1 |
| 28624143 | 10.1016/j.bmcl.2017.06.012 | Signal transducer and activator of transcription 1-alpha/beta | 1 |
| 28624143 | 10.1016/j.bmcl.2017.06.012 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine