Compound Detail
CHEMBL5997320
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCn1nnc2c(C)c(C(CC(=O)O)c3ccc(C)c(CN4C[C@H]5CCCN5c5ncccc5S4(=O)=O)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5997320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUTKOLZVFVMAAY-XQZUBTRRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
4.24
ALogP
8
HBA
1
HBD
121.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | Kd | 10.09 | 10.09 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Kd | 10.09 | 10.09 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | Kd | = | 0.081 | nM | 10.09 | ThermoFluor (Tf) assay: The ThermoFluor® is a fluorescence based assay (Tf) that... | - |
| Unchecked | Kd | = | 0.081 | nM | 10.09 | Fluorescence Based Assay: The details of the KEAP1 KELCH ThermoFluor® Assay Cons... | - |
Data from ChEMBL 36 via Core Engine