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
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
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
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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.6 8.6 8.6 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.06 5.08 5.1 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.13 8.67 9.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 7.98 9.08 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.07 6.39 6.95 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.46 6.76 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 6.71 6.71 6.71 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 8.98 9.42 9.89 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.27 7.81 8.26 PDSP Ki database
α2B ADA2B Rat Adrenoceptors A pKi 9.47 9.5 9.54 PDSP Ki database
α2C ADA2C North American opossum Adrenoceptors A pKi 9.17 9.17 9.17 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 8.74 9.09 9.72 PDSP Ki database
α2A ADA2A Pig Adrenoceptors A pKi 8.47 8.47 8.47 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 6.9 7.1 7.3 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 7.0 7.15 7.3 Guide to Pharmacology
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