5'-guanidinonaltrindole
SMILES | NC(=Nc1ccc2c(c1)c1C[C@@]3(O)[C@H]4Cc5c6[C@]3([C@H](c1[nH]2)Oc6c(O)cc5)CCN4CC1CC1)N |
InChIKey | VLNHDKDBGWXJEE-GYHUNEDQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 3 |
Molecular weight (Da) | 471.2 |
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 |
H3 | HRH3 | Rat | Histamine | A | pKi | 6.4 | 6.65 | 6.9 | Guide to Pharmacology |
H3 | HRH3 | Rat | Histamine | A | pKi | 6.2 | 6.22 | 6.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |