SCH 57790
SMILES | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N |
InChIKey | BFELQLHLUNQIHL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 437.2 |
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-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.8 | 8.9 | 9.0 | Guide to Pharmacology |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKd | 8.6 | 8.8 | 9.0 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 9.05 | 9.4 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKd | 8.85 | 8.88 | 8.92 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 8.6 | 8.6 | 8.6 | ChEMBL |