Compound Detail
CHEMBL5280147
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Basic Information
| ChEMBL ID | CHEMBL5280147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXJHEANDHXHGMV-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
6.19
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 6.16 | 6.115 | 700.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 700.0 | nM | 6.16 | Binding affinity to STAT3 (unknown origin) by SPR analysis | 34170703 |
| Signal transducer and activator of transcription 3 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of STAT3 phosphorylation in human HL-60 cells | 34170703 |
| Signal transducer and activator of transcription 3 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of STAT3 phosphorylation in human MOLM-13 cells | 34170703 |
| Signal transducer and activator of transcription 3 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of STAT3 phosphorylation in human Kasumi 1 cells | 34170703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34170703 | 10.1021/acs.jmedchem.1c00629 | Signal transducer and activator of transcription 3 | 4 |
Data from ChEMBL 36 via Core Engine