Compound Detail
CHEMBL4870439
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Basic Information
| ChEMBL ID | CHEMBL4870439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITZSHUOGKVOROD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.41
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 2.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 2.82 | 2.82 | 1500000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 1500000.0 | nM | 2.82 | Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 ... | 33818106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33818106 | 10.1021/acs.jmedchem.0c02094 | Kelch-like ECH-associated protein 1 | 2 |
Data from ChEMBL 36 via Core Engine