Compound Detail
CHEMBL3335388
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CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3335388 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SOYMXOGQALTSAW-BOCYPALZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2424.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 CHEMBL3430909 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of YAP/ GST-TEAD1 (unknown origin) interaction by surface plasmon res... | 25221655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25221655 | 10.1021/ml500160m | Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 | 2 |
Data from ChEMBL 36 via Core Engine