Compound Detail
CHEMBL4096528
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CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4096528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQDUYAPUHXMZNF-QEXPULDTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1859.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 14-3-3 protein zeta/delta CHEMBL4105899 | Kd | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 14-3-3 protein zeta/delta | Kd | = | 99.0 | nM | 7.0 | Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr u... | 29028171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29028171 | 10.1021/acs.jmedchem.7b01221 | 14-3-3 protein zeta/delta | 1 |
Data from ChEMBL 36 via Core Engine