thiothixene


SMILES CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 443.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
α1A ADA1A Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
D2 DRD2 Human Dopamine A pKi 9.92 9.92 9.92 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
D2 DRD2 Human Dopamine A pKi 8.03 8.03 8.03 Drug Central
D3 DRD3 Human Dopamine A pKi 8.03 8.03 8.03 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.27 8.27 8.27 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.27 8.27 8.27 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.24 8.24 8.24 Drug Central
D4 DRD4 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
D5 DRD5 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
H1 HRH1 Human Histamine A pKi 8.08 8.08 8.08 Drug Central
H2 HRH2 Human Histamine A pKi 8.19 8.19 8.19 Drug Central
D1 DRD1 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL