ipsapirone


SMILES O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
InChIKey TZJUVVIWVWFLCD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 401.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT1A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.6 8.7 8.8 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.0 8.27 8.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.06 7.06 7.06 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 4.78 4.78 4.78 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.4 8.4 8.4 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.3 8.31 9.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.91 6.26 6.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.82 4.82 4.82 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.34 7.34 7.34 ChEMBL
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Bovine Adrenoceptors A pIC50 5.55 5.55 5.55 ChEMBL
D1 DRD1 Bovine Dopamine A pIC50 4.92 4.92 4.92 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 4.3 4.39 4.58 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.46 7.67 8.09 ChEMBL
D4 DRD4 Human Dopamine A pIC50 5.75 5.75 5.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.17 7.17 7.17 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.92 5.92 5.92 ChEMBL
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 5.12 5.12 5.12 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.54 5.54 5.54 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pIC50 5.92 5.92 5.92 ChEMBL