CHEMBL143893
SMILES | c1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 |
InChIKey | PSPDVKOFFOIORK-UHFFFAOYSA-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 |
Endogenous/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 | 7.55 | 7.55 | 7.55 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 8.25 | 8.25 | 8.25 | ChEMBL |