(R)-ZINC-3573
SMILES | CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C |
InChIKey | XKBSPAZCFAIBJL-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 307.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MRGPRX2 | MRGX2 | Human | A orphans | A | pEC50 | 6.12 | 6.12 | 6.12 | Guide to Pharmacology |
MRGPRX2 | MRGX2 | Human | A orphans | A | pEC50 | 6.0 | 6.06 | 6.13 | ChEMBL |