compound 12e [PMID: 22266036]
| SMILES | COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1 |
| InChIKey | ZUUBRGCTXRXCLV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 363.1 |
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 | 8.28 | 8.28 | 8.28 | Guide to Pharmacology |
| mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 7.92 | 7.92 | 7.92 | Guide to Pharmacology |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |