zotepine


SMILES CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C
InChIKey HDOZVRUNCMBHFH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 331.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6A94
Ligand site mutations 5-HT2A

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 8.2 8.2 8.2 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 7.96 7.96 7.96 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 8.19 8.19 8.19 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 7.41 7.41 7.41 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 9.2 9.2 9.2 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 7.89 8.63 9.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.22 8.82 9.2 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.03 6.03 6.03 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 8.54 8.54 8.54 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.21 6.52 6.88 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.37 6.94 7.28 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.76 7.1 7.32 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 8.47 8.47 8.47 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 7.08 7.08 7.08 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.82 6.49 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.57 8.84 9.3 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.63 6.69 6.74 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.6 7.98 8.27 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.19 8.19 8.19 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 8.24 8.27 8.3 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.82 7.02 7.21 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.2 5.39 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.32 5.64 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.47 8.84 9.21 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.41 7.41 7.41 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.08 7.31 7.54 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.54 8.54 8.54 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.8 7.99 8.19 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.57 8.97 9.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.48 6.48 6.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.89 7.92 7.96 ChEMBL
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.93 8.93 8.93 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 8.24 8.24 8.24 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 6.07 7.14 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 6.83 7.74 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 6.05 7.11 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.79 6.59 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.24 8.64 9.21 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.48 8.48 8.49 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.87 7.21 7.54 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.11 8.42 8.93 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.92 8.06 8.23 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 7.15 7.15 7.15 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.61 6.61 6.61 PDSP Ki database
H2 HRH2 Human Histamine A pKi 6.3 6.3 6.3 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.7 5.7 5.7 PDSP Ki database
EP3 PE2R3 Human Prostanoid 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
CB1 CNR1 Rat Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.35 8.45 8.54 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 8.3 8.3 8.3 PDSP Ki database
CCK2 GASR Rat Cholecystokinin A pKi 6.0 6.0 6.0 PDSP Ki database
PAF PTAFR Human Platelet-activating factor A pKi 6.0 6.0 6.0 PDSP Ki database
TP TA2R Human Prostanoid A pKi 6.0 6.0 6.0 PDSP Ki database
δ OPRD Mouse Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 6.23 6.85 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 7.14 7.14 7.14 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.92 8.92 8.92 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.08 8.08 8.08 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.27 8.27 8.27 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
D2 DRD2 Human Dopamine A pKi 8.1 8.1 8.1 Drug Central
D3 DRD3 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
D4 DRD4 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
D5 DRD5 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
H1 HRH1 Human Histamine A pKi 8.04 8.04 8.04 Drug Central
H2 HRH2 Human Histamine A pKi 8.2 8.2 8.2 Drug Central
H4 HRH4 Human Histamine A pKi 8.24 8.24 8.24 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.26 6.26 6.26 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.15 8.15 8.15 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 8.08 8.08 8.08 Drug Central
D1 DRD1 Human Dopamine A pKi 8.12 8.12 8.12 Drug Central
D4 DRD4 Human Dopamine A pKi 7.74 7.74 7.74 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.75 8.75 8.75 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database