Compound Detail
CHEMBL4742010
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(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4742010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMAKZEVZUHQCKN-XCQPDQAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
762.7
MW (Da)
-5.81
ALogP
12
HBA
11
HBD
370.1
PSA (Ų)
0.05
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.8 | 5.8 | 1594.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | IC50 | = | 1594.0 | nM | 5.8 | Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for... | 33065433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33065433 | 10.1016/j.bmc.2020.115738 | Kelch-like ECH-associated protein 1 | 3 |
Data from ChEMBL 36 via Core Engine