Compound Detail
CHEMBL3335455
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CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H]1CCSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3335455 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CVZOMJMMROGASZ-GOLAZCNBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1983.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 CHEMBL3430909 | IC50 | 6.21 | 6.21 | 620.0 | 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 | = | 620.0 | nM | 6.21 | 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 | 1 |
Data from ChEMBL 36 via Core Engine