CHEMBL424154
SMILES | C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1 |
InChIKey | YFFOJTGAWSVILK-UNMCSNQZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 428.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 8.6 | 8.6 | 8.6 | ChEMBL |