Compound Detail
CHEMBL4752864
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Basic Information
| ChEMBL ID | CHEMBL4752864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVCUCBRQWKTIQP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
318.1
MW (Da)
3.61
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6... | 34055214 |
| HeLa | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxicity against human HeLa cells assessed as inhibition of cell viability m... | 34055214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055214 | 10.1021/acsmedchemlett.0c00544 | Signal transducer and activator of transcription 3 | 2 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | HeLa | 2 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | HEK-293T | 2 |
| 34055214 | 10.1021/acsmedchemlett.0c00544 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine