Compound Detail
CHEMBL3347549
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Basic Information
| ChEMBL ID | CHEMBL3347549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTMDWWFQMQJEKJ-FUDKSRODSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
6.99
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 4.29 | 4.23 | 51000.0 | 4 |
| NADPH oxidase 5 CHEMBL1926497 | IC50 | 4.1 | 4.1 | 79000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inh... | 24466406 |
| Cytochrome b-245 heavy chain | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of human Nox2 expressed in COS7 cells co-transfected with human p22-p... | - |
| Cytochrome b-245 heavy chain | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inh... | 24466406 |
| Cytochrome b-245 heavy chain | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of human Nox2 expressed in COS7 cells co-transfected with human p22-p... | - |
| NADPH oxidase 5 | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibi... | 24466406 |
| NADPH oxidase 5 | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of Nox5 expressed in HEK cells assessed as inhibition of PMA/ionomyci... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24466406 | 10.1039/c3md00061c | Cytochrome b-245 heavy chain | 2 |
| 24466406 | 10.1039/c3md00061c | Xanthine dehydrogenase/oxidase | 1 |
| 24466406 | 10.1039/c3md00061c | NADPH oxidase 5 | 1 |
| 24466406 | 10.1039/c3md00061c | NADPH oxidase 4 | 1 |
| 24466406 | 10.1039/c3md00061c | NADPH oxidase 1 | 1 |
Data from ChEMBL 36 via Core Engine