| Synonyms | |
| Status | |
| Molecule Category | UNKNOWN |
| UNII | 66VLQ6E6DL |
Structure
| InChI Key | KCTFTBCZZUBAKN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H26N6O |
| Molecular Weight | 426.52 |
| AlogP | 4.64 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 89.35 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 32.0 |
Bioactivity
| Mechanism of Action | Action | Reference |
|---|---|---|
| Solute carrier family 22 member 12 inhibitor | INHIBITOR | PubMed |
|
Protein: Type-1 angiotensin II receptor Description: Type-1 angiotensin II receptor Organism : Homo sapiens P30556 ENSG00000144891 |
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Protein: Solute carrier family 22 member 6 Description: Solute carrier family 22 member 6 Organism : Homo sapiens Q4U2R8 ENSG00000197901 |
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Protein: Solute carrier family 22 member 8 Description: Organic anion transporter 3 Organism : Homo sapiens Q8TCC7 ENSG00000149452 |
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Protein: Solute carrier family 22 member 12 Description: Solute carrier family 22 member 12 Organism : Homo sapiens Q96S37 ENSG00000197891 |
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| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Angiotensin receptor
|
- | 1-1 | 0-0 | - | - |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 32041 |
| ChEMBL | CHEMBL41194 |
| FDA SRS | 66VLQ6E6DL |
| PubChem | 9802561 |
| SureChEMBL | SCHEMBL93595 |
| ZINC | ZINC000003786304 |
CONTENTS