L-796,778
SMILES | NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](NC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CCCC |
InChIKey | KEATTYUTWJKTRT-DSITVLBTSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 17 |
Molecular weight (Da) | 584.3 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 7.4 | 7.97 | 8.6 | Guide to Pharmacology |
H3 | HRH3 | Human | Histamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |