GEPIRONE


SMILES CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1
InChIKey QOIGKGMMAGJZNZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 359.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.16 7.33 7.5 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.44 5.44 5.44 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.5 7.7 7.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 7.1 7.1 7.1 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.37 6.3 7.24 ChEMBL
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 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 5.44 5.44 5.44 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
D2 DRD2 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.15 7.15 7.15 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.94 6.94 6.94 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.54 6.54 6.54 ChEMBL