NAN 190
SMILES | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 |
InChIKey | SJDOMIRMMUGQQK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 393.2 |
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 |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pEC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pEC50 | 4.0 | 4.0 | 4.0 | ChEMBL |
mGlu2 | GRM2 | Rat | Metabotropic glutamate | C | pEC50 | 6.32 | 6.51 | 6.7 | ChEMBL |
mGlu3 | GRM3 | Rat | Metabotropic glutamate | C | pEC50 | 5.77 | 5.77 | 5.77 | ChEMBL |