Compound Detail
CHEMBL5886931
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Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3CC3CC3)c2C)cc1CN1C[C@]2(C)CCCN2c2ncccc2S1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5886931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCUHBMJCDSGVHP-UWPPNVRMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
614.8
MW (Da)
5.02
ALogP
8
HBA
1
HBD
121.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | Kd | 10.62 | 10.62 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | Kd | = | 0.024 | nM | 10.62 | ThermoFluor (Tf) assay: The ThermoFluor® is a fluorescence based assay (Tf) that... | - |
Data from ChEMBL 36 via Core Engine