basimglurant [1188]
basimglurant
| SMILES | Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 |
| InChIKey | UPZWINBEAHDTLA-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 1 |
| Log P | 4.076 |
| Molecular weight (Da) | 325.1 |
| Stereochemistry info | unspecified |
Database connections
| Model (Boltz2) | mGlu5 |
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 |
basimglurant
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
6
Phase III
0
Phase IV
0
Database connections
| Model (Boltz2) | mGlu5 |
Sankey plot
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Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |