Compound Detail
CHEMBL5989261
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CC[C@@H]1CN(Cc2cc(C(CCc3cn(CC)nn3)C(C)C(=O)O)ccc2C)S(=O)(=O)c2ccccc2O1
Basic Information
| ChEMBL ID | CHEMBL5989261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDANVQJFZXIQGM-FMGHMSBISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
4.41
ALogP
7
HBA
1
HBD
114.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 55.0 | nM | 7.26 | Nrf2-Keap1 FP Assay #1: 100 nL of 100× compound dose response curves (serial 3-f... | - |
Data from ChEMBL 36 via Core Engine