Compound Detail
CHEMBL2172008
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Basic Information
| ChEMBL ID | CHEMBL2172008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCOCDHYTHMMUHD-ZROIWOOFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.87
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.75 | 4.635 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubat... | 22650325 |
| Signal transducer and activator of transcription 3 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapep... | 22650325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22650325 | 10.1021/jm300207s | Signal transducer and activator of transcription 3 | 2 |
Data from ChEMBL 36 via Core Engine