CHEMBL5195241
SMILES | COc1cc2c(cc1OC)-c1c(OC)c(OCc3ccc(Br)cc3)cc3c1[C@H](C2)N(C)CC3 |
InChIKey | RWKDELNCCMATRB-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 509.1 |
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 | 6.45 | 6.45 | 6.45 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.79 | 6.79 | 6.79 | ChEMBL |