compound 10i [PMID: 23084894]
| SMILES | COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1 |
| InChIKey | DBUMITZHDMTTNX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 365.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pKi | 7.84 | 7.84 | 7.84 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 8.22 | 8.22 | 8.22 | Guide to Pharmacology |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |