hexocyclium
SMILES | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O |
InChIKey | ZRYHPQCHHOKSMD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 317.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKd | 9.4 | 9.55 | 9.7 | Guide to Pharmacology |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 9.05 | 9.18 | 9.3 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |