Compound Detail
CHEMBL2172017
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Basic Information
| ChEMBL ID | CHEMBL2172017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTHBPHKCEOODOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
5.13
ALogP
6
HBA
3
HBD
118.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL5402 | IC50 | 4.55 | 4.55 | 28000.0 | 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 | = | 28000.0 | nM | 4.55 | Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overex... | 22650325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22650325 | 10.1021/jm300207s | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine