CHEMBL399203
| SMILES | O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Oc1ccccc1)N2 |
| InChIKey | YRQLRCRBEYSAIN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 426.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |
| CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 6.31 | 6.79 | 7.27 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 4.6 | 4.6 | 4.6 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pIC50 | 4.6 | 4.6 | 4.6 | ChEMBL |