Compound Detail
CHEMBL4635896
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Basic Information
| ChEMBL ID | CHEMBL4635896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQMUAYQNXJIIGH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.77
ALogP
5
HBA
1
HBD
88.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.02
Kd 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | Kd | 7.25 | 7.25 | 56.0 | 1 |
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | Kd | = | 56.0 | nM | 7.25 | Binding affinity to Keap1 (unknown origin) by SPR assay | 31898999 |
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 9500.0 | nM | 5.02 | Induction of Nrf2 nuclear translocation in human U2OS cells | 31898999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31898999 | 10.1016/j.bmcl.2019.126852 | Kelch-like ECH-associated protein 1 | 1 |
| 31898999 | 10.1016/j.bmcl.2019.126852 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine