Compound Detail
CHEMBL5437070
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[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(-c3cccnc3C(F)(F)F)cn2)c1OC
Basic Information
| ChEMBL ID | CHEMBL5437070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZWDRAZRBJVZNC-FIBGUPNXSA-N |
| Parent Compound | CHEMBL5500142 |
| Active Moiety | CHEMBL5500142 |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.5
MW (Da)
4.47
ALogP
9
HBA
3
HBD
143.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 22195.45 | nM | Mus musculus |
| T1/2 | 6.26 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of IL-23 induced STAT3 phosphorylation in human Jurkat cells incubate... | 36951608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36951608 | 10.1021/acs.jmedchem.2c01800 | ADMET | 3 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine