Compound Detail
CHEMBL5273461
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COc1ccc([C@@H](C)N2CC(=O)N[C@H](C)C(=O)CN(CCc3ccccc3Oc3ccccc3)CC(=O)N(c3cc(OC)cc(OC)c3)CC(=O)N(CCCOC(C)C)CC(=O)N([C@H](C)c3ccc(OC)cc3)CC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5273461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBNVJMRJYMBRDG-FAQPUFNASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1071.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP C4-2B CHEMBL4296461 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Catenin beta-1/Transcription factor 7 CHEMBL3885542 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP C4-2B | IC50 | = | 195.0 | nM | 6.71 | Antiproliferative activity against human LNCaP C4-2B cells assessed as inhibitio... | 33822624 |
| Catenin beta-1/Transcription factor 7 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of beta catenin/TCF (unknown origin) by immunoprecipitation method | 33822624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33822624 | 10.1021/acs.jmedchem.0c01799 | Catenin beta-1/Transcription factor 7 | 1 |
| 33822624 | 10.1021/acs.jmedchem.0c01799 | LNCaP C4-2B | 1 |
Data from ChEMBL 36 via Core Engine