spiroxatrine


SMILES O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1
InChIKey JVGBTTIJPBFLTE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 379.2

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-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.55 6.8 Guide to Pharmacology
α1A ADA1A Human Adrenoceptors A pKi 6.9 7.1 7.3 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 7.6 7.6 7.6 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 7.9 7.9 7.9 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 7.0 7.15 7.3 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 7.9 8.35 8.8 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 8.7 8.85 9.0 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 6.5 6.5 6.5 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.86 6.86 6.86 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.97 7.97 7.97 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.07 8.07 8.07 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.18 7.18 7.18 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.84 9.25 9.66 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.68 8.2 8.72 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.71 7.71 7.71 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.21 6.21 6.21 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.6 8.6 8.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.25 7.25 7.25 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.11 8.11 8.11 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
κ OPRK Human Opioid A pKi 6.15 6.15 6.15 ChEMBL
μ OPRM Human Opioid A pKi 7.89 7.89 7.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.17 8.17 8.17 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 6.49 6.49 6.49 ChEMBL