CHEMBL116092
SMILES | c1cc2[nH]cc(CCN3CCCC3)c2cc1-n1cnnc1 |
InChIKey | WYXPLVWYFDBFBS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 281.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.52 | 7.54 | 7.55 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 8.59 | 8.62 | 8.64 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 8.47 | 8.49 | 8.51 | ChEMBL |