Compound Detail
CHEMBL5555159
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Basic Information
| ChEMBL ID | CHEMBL5555159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGNNSGLYXNVUAS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.65
ALogP
7
HBA
1
HBD
92.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.98
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 7.53 | 7.53 | 29.4 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | Kd | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 10.38 | nM | 7.98 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 38704936 |
| Signal transducer and activator of transcription 3 | IC50 | = | 29.43 | nM | 7.53 | Inhibition of leukemia inhibitory factor-induced STAT3 transcriptional activity ... | 38704936 |
| Signal transducer and activator of transcription 3 | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to recombinant His-tagged STAT3 (127 to 722 residues) (unknown ... | 38704936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38704936 | 10.1016/j.ejmech.2024.116448 | Signal transducer and activator of transcription 3 | 2 |
| 38704936 | 10.1016/j.ejmech.2024.116448 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine