CHEMBL63432
SMILES | Fc1cccc(CCN2CCN(CC(F)Cc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1 |
InChIKey | ZIULJQIKRKMJNZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 450.2 |
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 | 5.92 | 5.96 | 6.0 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pEC50 | 6.09 | 6.09 | 6.09 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 8.36 | 8.39 | 8.42 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 8.29 | 8.39 | 8.46 | ChEMBL |