Compound Detail
CHEMBL5435186
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CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5435186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFTOSZVUAOOMFI-OPJVNLCKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1126.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of NOX1 (unknown origin) expressed in HT 29 cells assessed as inhibit... | 37650225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37650225 | 10.1021/acs.jmedchem.3c00770 | NADPH oxidase 1 | 1 |
Data from ChEMBL 36 via Core Engine