Compound Detail
CHEMBL2397077
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@@H]1NC(=O)[C@@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2397077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTMNVNJATGXPJV-JBPQNXRZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2392.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Kd 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catenin beta-1 CHEMBL5866 | Kd | 7.28 | 7.28 | 53.0 | 1 |
| Catenin beta-1 CHEMBL5866 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catenin beta-1 | Kd | = | 53.0 | nM | 7.28 | Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after ... | 23566764 |
| Catenin beta-1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of beta-catenin-mediated transcriptional activity in Wnt3a-stimulated... | 23566764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566764 | 10.1016/j.bmc.2013.02.050 | Catenin beta-1 | 2 |
Data from ChEMBL 36 via Core Engine