Compound Detail
CHEMBL3621947
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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCCCCCCC/C=C/CC[C@@](C)(C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CC2CCC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3621947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFSIBXMTOQLCGE-AFDGDQDXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1759.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Tumour suppressor protein p53/Mdm4 CHEMBL2221344 | Ki | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | Ki | = | 0.9 | nM | 9.05 | Inhibition of MDM2/p53 (unknown origin) interaction | - |
| Tumour suppressor protein p53/Mdm4 | Ki | = | 6.8 | nM | 8.17 | Inhibition of MDMX/p53 (unknown origin) interaction | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00328D | Tumour suppressor protein p53/Mdm4 | 1 |
| - | 10.1039/C4MD00328D | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine