Compound Detail
CHEMBL4515723
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CC(=O)Nc1ccc(S(=O)(=O)N(Cc2c[nH]nn2)c2ccc(N(Cc3c[nH]nn3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4515723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOTGMDIMMYQXRU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
714.8
MW (Da)
3.78
ALogP
10
HBA
4
HBD
216.1
PSA (Ų)
0.14
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 6.21 | 6.21 | 609.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 609.0 | nM | 6.21 | Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction aft... | 27660687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660687 | 10.1021/acsmedchemlett.5b00407 | Keap1/Nrf2 | 5 |
| 27660687 | 10.1021/acsmedchemlett.5b00407 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine