Compound Detail
CHEMBL5908474
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C[C@H](Oc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1NCC1CCOCC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5908474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSPLERMYTLUVMV-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
5.23
ALogP
9
HBA
2
HBD
111.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | Ki | = | 18.0 | nM | 7.75 | ROS Production Measurement on hNOX1 Membranes: All solutions were placed on ice ... | - |
Data from ChEMBL 36 via Core Engine