Compound Detail
CHEMBL4172175
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Basic Information
| ChEMBL ID | CHEMBL4172175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZUBDKIROJPQGE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.30
ALogP
8
HBA
0
HBD
96.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 4.78 | 4.78 | 16500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 16500.0 | nM | 4.78 | Binding affinity to Keap1 (unknown origin) expressed in baculovirous based expre... | 30108745 |
| Kelch-like ECH-associated protein 1 | Kd | = | 16500.0 | nM | 4.78 | Binding affinity to recombinant human Keap1 by SPR assay | 29750408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108745 | 10.1039/C6MD00500D | Kelch-like ECH-associated protein 1 | 1 |
| 29750408 | 10.1021/acs.jmedchem.8b00358 | Kelch-like ECH-associated protein 1 | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 38043492 | 10.1016/j.ejmech.2023.115998 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine