CHEMBL4213379
SMILES | c1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 |
InChIKey | BCRYOGOFXLRJPN-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 279.2 |
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 |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 6.1 | 6.11 | 6.12 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 9.9 | 9.92 | 9.94 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 7.27 | 7.29 | 7.3 | ChEMBL |