Compound Detail
CHEMBL4576082
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Basic Information
| ChEMBL ID | CHEMBL4576082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COAUEHYQQBGZLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
2.11
ALogP
7
HBA
3
HBD
139.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 100000.0 | nM | 4.0 | Binding affinity to KEAP1 (unknown origin) by surface plasmon resonance analysis | 31411465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31411465 | 10.1021/acs.jmedchem.9b00723 | Kelch-like ECH-associated protein 1 | 5 |
| 31411465 | 10.1021/acs.jmedchem.9b00723 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine