Compound Detail
CHEMBL4590075
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Basic Information
| ChEMBL ID | CHEMBL4590075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEAUUMWNODMMMV-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
3.84
ALogP
4
HBA
0
HBD
56.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 6.75 | 6.75 | 178.0 | 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 | = | 178.0 | nM | 6.75 | 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