Compound Detail
CHEMBL3733336
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Basic Information
| ChEMBL ID | CHEMBL3733336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMUFGVINDAIMKX-ZJOUEHCJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
6.92
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain CHEMBL1287627 | IC50 | 7.52 | 5.48 | 30.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 heavy chain | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Nox2 (unknown origin) | - |
| Cytochrome b-245 heavy chain | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of human Nox2 expressed in COS7 cells co-transfected with human p22-p... | - |
| Cytochrome b-245 heavy chain | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of human Nox2 expressed in COS7 cells co-transfected with human p22-p... | - |
Data from ChEMBL 36 via Core Engine