Compound Detail
CHEMBL1277933
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Basic Information
| ChEMBL ID | CHEMBL1277933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZPRBPWSPHMJIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
4.04
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 4 CHEMBL1250375 | Ki | 7.09 | 7.09 | 82.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 210.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 212.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 4 | Ki | = | 82.0 | nM | 7.09 | Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as RO... | 20942471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20942471 | 10.1021/jm100773e | Liver microsomes | 2 |
| 20942471 | 10.1021/jm100773e | NADPH oxidase 4 | 1 |
| 20942471 | 10.1021/jm100773e | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine