Compound Detail
CHEMBL4565873
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Basic Information
| ChEMBL ID | CHEMBL4565873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAEODNSQYWHSBD-OHGISNTKSA-N |
| Parent Compound | CHEMBL4596628 |
| Active Moiety | CHEMBL4596628 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.77
ALogP
6
HBA
0
HBD
68.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 5.12 | 5.12 | 7610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 7610.0 | nM | 5.12 | Activation of NRF2 in human U2OS cells co-expressing Keap1 assessed as induction... | 30540174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30540174 | 10.1021/acs.jmedchem.8b01527 | BV-2 | 2 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | Cytochrome P450 2C19 | 1 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | Cytochrome P450 2D6 | 1 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | Cytochrome P450 2C9 | 1 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | Cytochrome P450 1A2 | 1 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | Cytochrome P450 3A4 | 1 |
| 30540174 | 10.1021/acs.jmedchem.8b01527 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine