tiospirone


SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2
InChIKey ZFZPJDFBJFHYIV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 440.2

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 8.3 8.3 8.3 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 9.2 9.2 9.2 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 8.67 8.68 8.68 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.99 9.81 10.22 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 9.19 9.19 9.19 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.0 8.01 8.01 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 7.87 7.87 7.87 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 9.3 9.3 9.3 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.89 5.89 5.89 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.74 6.74 6.74 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.32 6.32 6.32 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.41 5.41 5.41 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 7.66 7.95 8.1 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.75 8.14 8.54 ChEMBL