THIOTHIXENE,cis-


SMILES CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
InChIKey GFBKORZTTCHDGY-UHFFFAOYSA-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 No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.85 7.42 8.63 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.95 7.25 7.44 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.35 7.35 7.35 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.49 6.62 6.68 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 7.11 7.11 7.11 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 9.18 9.19 9.2 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.8 5.8 5.81 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.85 9.49 10.52 PDSP Ki database
H1 HRH1 Human Histamine A pKi 7.92 8.23 8.4 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 7.57 7.57 7.57 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.85 5.87 5.88 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 6.84 8.17 8.85 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.27 5.8 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.4 5.81 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.29 5.59 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.34 5.68 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.0 5.85 6.27 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.18 6.18 6.18 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.44 6.44 6.44 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.81 7.81 7.82 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.27 5.32 5.37 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 7.46 7.46 7.46 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.1 7.1 7.1 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 7.3 7.3 7.3 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 7.28 7.28 7.28 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.69 6.69 6.69 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.58 6.58 6.58 PDSP Ki database
H2 HRH2 Human Histamine A pKi 6.39 6.39 6.39 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
EP4 PE2R4 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.73 6.73 6.73 PDSP Ki database
CB1 CNR1 Rat Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 5.87 5.87 5.87 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.82 5.82 5.82 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 9.3 9.41 9.52 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.82 6.82 6.82 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 7.92 7.94 7.96 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 7.29 7.29 7.29 PDSP Ki database
EP3 PE2R3 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database