CHEMBL105261
SMILES | CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
InChIKey | ORJIHHLJBCQRBS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 286.2 |
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 |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.47 | 5.47 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pEC50 | 7.5 | 7.5 | 7.5 | ChEMBL |