ITRACONAZOLE
| SMILES | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O |
| InChIKey | VHVPQPYKVGDNFY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 704.2 |
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 |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 4.68 | 5.63 | 7.0 | ChEMBL |
| CCR4 | CCR4 | Human | Chemokine | A | pIC50 | 4.9 | 5.63 | 6.7 | ChEMBL |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 4.9 | 5.41 | 6.1 | ChEMBL |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
| CCR4 | CCR4 | Human | Chemokine | A | pIC50 | 8.17 | 8.17 | 8.17 | Drug Central |
| CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |