Compound Detail
CHEMBL3617836
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Basic Information
| ChEMBL ID | CHEMBL3617836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSVWEYNSNZJEGB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
392.2
MW (Da)
3.45
ALogP
5
HBA
0
HBD
73.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | EC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | EC50 | = | 7100.0 | nM | 5.15 | Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinit... | 26348784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31411465 | 10.1021/acs.jmedchem.9b00723 | Kelch-like ECH-associated protein 1 | 6 |
| 26348784 | 10.1021/acs.jmedchem.5b00602 | Keap1/Nrf2 | 5 |
| 26348784 | 10.1021/acs.jmedchem.5b00602 | Nuclear factor erythroid 2-related factor 2 | 4 |
| 26348784 | 10.1021/acs.jmedchem.5b00602 | Unchecked | 3 |
| 26348784 | 10.1021/acs.jmedchem.5b00602 | ADMET | 2 |
| 31411465 | 10.1021/acs.jmedchem.9b00723 | No relevant target | 2 |
| 26348784 | 10.1021/acs.jmedchem.5b00602 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine