YM-09538
SMILES | CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)(=O)N.Cl |
InChIKey | JRVCPDVOFCWKAG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 416.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 8.36 | 8.36 | 8.36 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.89 | 5.89 | 5.89 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 7.88 | 7.88 | 7.88 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |