Compound Detail
CHEMBL1927146
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Basic Information
| ChEMBL ID | CHEMBL1927146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIDIRPAVSFGJPZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1962809 |
| Active Moiety | CHEMBL1962809 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
1.63
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 4 CHEMBL1250375 | Ki | 7.06 | 7.06 | 87.0 | 1 |
| NADPH oxidase 1 CHEMBL1287628 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Cytochrome b-245 heavy chain CHEMBL1287627 | Ki | 6.44 | 6.44 | 365.0 | 1 |
| NADPH oxidase 5 CHEMBL1926497 | Ki | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 4 | Ki | = | 87.0 | nM | 7.06 | Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing te... | 22041175 |
| NADPH oxidase 1 | Ki | = | 119.0 | nM | 6.92 | Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing te... | 22041175 |
| Cytochrome b-245 heavy chain | Ki | = | 365.0 | nM | 6.44 | Antagonist activity at human NOX2 in human polymorphonuclear cell membrane asses... | 22041175 |
| NADPH oxidase 5 | Ki | = | 360.0 | nM | 6.44 | Antagonist activity at human NOX5 assessed as inhibition of ROS production after... | 22041175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22041175 | 10.1016/j.bmc.2011.10.016 | NADPH oxidase 1 | 1 |
| 22041175 | 10.1016/j.bmc.2011.10.016 | Cytochrome b-245 heavy chain | 1 |
| 22041175 | 10.1016/j.bmc.2011.10.016 | NADPH oxidase 4 | 1 |
| 22041175 | 10.1016/j.bmc.2011.10.016 | NADPH oxidase 5 | 1 |
| 22041175 | 10.1016/j.bmc.2011.10.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine