CTEP
| SMILES | Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C |
| InChIKey | GOHCTCOGYKAJLZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 391.1 |
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 |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKd | 8.77 | 8.77 | 8.77 | Guide to Pharmacology |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 7.7 | 7.74 | 7.79 | Guide to Pharmacology |
| mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKd | 8.82 | 8.82 | 8.82 | Guide to Pharmacology |
| mGlu5 | GRM5 | Mouse | Metabotropic glutamate | C | pKi | 8.02 | 8.02 | 8.02 | Guide to Pharmacology |
| mGlu5 | GRM5 | Mouse | Metabotropic glutamate | C | pKd | 8.74 | 8.74 | 8.74 | Guide to Pharmacology |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 7.94 | 8.06 | 8.19 | Guide to Pharmacology |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |