CHEMBL279320
SMILES | COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1OCCN(C)C |
InChIKey | DOWMZCCWUBICMR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 497.3 |
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-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.63 | 6.63 | 6.63 | ChEMBL |