Compound Detail
CHEMBL5424942
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
CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21
Basic Information
| ChEMBL ID | CHEMBL5424942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMWVTCZKCXPKFW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.81
ALogP
7
HBA
1
HBD
85.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 5.68 | 5.59 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human NOX2 | 37650225 |
| Cytochrome b-245 heavy chain | IC50 | = | 3162.28 | nM | 5.5 | Competitive inhibition of NOX2 (unknown origin) expressed in HEK293T cells asses... | 37650225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37857466 | 10.1021/acs.jmedchem.3c01548 | HL-60 | 8 |
| 37650225 | 10.1021/acs.jmedchem.3c00770 | Cytochrome b-245 heavy chain | 3 |
| 37857466 | 10.1021/acs.jmedchem.3c01548 | Cytochrome b-245 heavy chain | 1 |
Data from ChEMBL 36 via Core Engine