quetiapine


SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 383.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D2 D4

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.5 6.55 6.6 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 8.0 8.35 8.7 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.27 5.29 5.3 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.42 5.42 5.42 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.36 6.5 6.64 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.69 5.83 5.96 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.52 6.25 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 6.54 6.54 6.54 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.37 5.92 6.41 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.48 6.8 7.16 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.62 5.76 5.9 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.65 5.65 5.65 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.6 6.7 7.51 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.44 5.49 5.65 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.85 6.49 7.8 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.08 6.59 8.04 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.13 6.36 7.05 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 7.4 7.4 7.4 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.15 5.3 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.15 5.3 PDSP Ki database
H1 HRH1 Human Histamine A pKi 7.72 8.15 8.66 PDSP Ki database
α1B ADA1B Rat Adrenoceptors A pKi 7.87 7.87 7.87 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.0 7.0 7.0 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.46 7.46 7.46 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.32 7.32 7.32 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.0 6.67 7.34 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.67 5.67 5.67 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.0 7.11 7.21 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.0 6.6 7.2 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.0 6.52 6.9 ChEMBL
H1 HRH1 Human Histamine A pKi 7.68 7.97 8.34 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.75 6.75 6.75 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.66 5.75 5.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.0 7.35 7.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.09 6.37 6.64 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.37 6.07 6.67 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.6 6.73 6.87 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.92 5.92 5.92 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.42 5.71 5.85 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.0 6.57 7.25 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.0 6.36 6.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.0 6.92 7.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.0 6.57 7.1 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.0 6.64 7.2 ChEMBL
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.89 5.89 5.89 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.44 6.82 7.09 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.87 6.87 6.87 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.44 5.75 6.21 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.52 5.7 5.98 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.76 5.79 5.82 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.39 6.07 7.48 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 5.7 5.81 5.93 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.77 5.8 5.82 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.61 5.85 6.08 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 7.68 7.82 7.96 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.51 5.57 5.64 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.74 6.33 6.77 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.07 6.79 7.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 7.41 7.41 7.41 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 7.66 7.66 7.66 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.46 7.27 7.54 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.89 5.99 6.15 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.6 6.15 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.52 5.58 5.71 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 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
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.14 6.31 6.65 PDSP Ki database
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 6.18 6.18 6.18 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 6.92 6.92 6.92 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.4 5.64 5.88 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.21 5.21 5.21 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.87 6.09 6.2 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.0 6.0 6.0 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
κ OPRK Guinea pig Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.14 8.14 8.14 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.24 8.24 8.24 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.26 8.26 8.26 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
D1 DRD1 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D3 DRD3 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D5 DRD5 Human Dopamine A pKi 8.24 8.24 8.24 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
H1 HRH1 Guinea pig Histamine A pKi 8.13 8.13 8.13 Drug Central
D4 DRD4 Human Dopamine A pKi 8.24 8.24 8.24 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.4 6.85 7.0 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
CB1 CNR1 Rat Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
δ OPRD Mouse Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 7.72 7.72 7.72 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 8.17 8.17 8.17 Drug Central
H3 HRH3 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 7.4 7.4 7.4 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 7.61 7.61 7.61 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.06 7.06 7.06 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.01 7.01 7.01 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.0 7.0 7.0 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.52 5.52 5.52 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 6.38 6.38 6.38 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.8 5.8 5.8 ChEMBL
H1 HRH1 Human Histamine A pIC50 7.4 7.4 7.4 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.48 6.48 6.48 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.85 5.85 5.85 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.6 5.6 5.6 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.37 6.37 6.37 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.67 6.67 6.67 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.48 5.48 5.48 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.48 5.48 5.48 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.58 5.58 5.58 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.93 5.93 5.93 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.93 6.93 6.93 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.88 5.88 5.88 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.17 8.17 8.17 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.15 8.15 8.15 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 8.19 8.19 8.19 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 8.15 8.15 8.15 Drug Central
α1A ADA1A Human Adrenoceptors A pIC50 8.15 8.15 8.15 Drug Central
α2C ADA2C Human Adrenoceptors A pIC50 8.2 8.2 8.2 Drug Central
D2 DRD2 Human Dopamine A pIC50 8.19 8.19 8.19 Drug Central
H1 HRH1 Human Histamine A pIC50 8.08 8.08 8.08 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.15 8.15 8.15 Drug Central
H1 HRH1 Rat Histamine A pIC50 8.13 8.13 8.13 Drug Central