ITOPRIDE [159867]
ITOPRIDE
| SMILES | COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC |
| InChIKey | QQQIECGTIMUVDS-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 2.574 |
| Molecular weight (Da) | 358.2 |
| Stereochemistry info | unspecified |
Database connections
| Model (Boltz2) | D2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
ITOPRIDE
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
2
Phase III
1
Phase IV
3
Database connections
| Model (Boltz2) | D2 |
Sankey plot
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Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |