Compound Detail
CHEMBL5291202
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O=C1[C@@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@@H]2CN1Cc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL5291202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQWTUOLCGKIECB-IHLOFXLRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
4.27
ALogP
4
HBA
2
HBD
93.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catenin beta-1/Transcription factor 7 CHEMBL3885542 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catenin beta-1/Transcription factor 7 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of beta-catenin/TCF transcriptional activity in human SW480 cells by ... | 33445154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33445154 | 10.1016/j.ejmech.2020.113149 | Catenin beta-1/Transcription factor 7 | 1 |
Data from ChEMBL 36 via Core Engine