N-(3-{1-[2-carbamoyl-2-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)ethyl]piperidin-4-yl}-1H-indol-5-yl)-4-fluorobenzamide
SMILES | C1CN(CCC1C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(C(=O)N)N5CCC(CC5)C6=CNC7=C6C=C(C=C7)NC(=O)C8=CC=C(C=C8)F |
InChIKey | XYLIOOCBCOUPES-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 10 |
Molecular weight (Da) | 743.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |