CHEMBL148314
SMILES | NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12 |
InChIKey | UKDMXDZZUXNXAC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 454.2 |
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 |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.37 | 8.37 | 8.37 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.68 | 8.68 | 8.68 | ChEMBL |