Compound Detail
CHEMBL3222140
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CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O
Basic Information
| ChEMBL ID | CHEMBL3222140 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CJGCLILUEYOGAO-FNRPHRCSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1033.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor AP1 CHEMBL2111421 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor AP1 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of c-FOS/AP1 (unknown origin) | - |
| Transcription factor Jun | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of AP-1 bZIP domain DNA binding activity (unknown origin) by ELISA | 24831826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD00289B | Transcription factor AP1 | 1 |
| 24831826 | 10.1021/jm5004733 | Transcription factor Jun | 1 |
Data from ChEMBL 36 via Core Engine