Compound Detail
CHEMBL5199802
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O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)nc1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5199802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHWWEZQPMMZLFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
4.84
ALogP
7
HBA
0
HBD
84.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 6.75 | 6.75 | 177.4 | 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 | = | 177.4 | nM | 6.75 | Inhibition of human recombinant STAT3 (127 to 722 residues) transcriptional acti... | 36103247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36103247 | 10.1021/acs.jmedchem.2c00413 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine