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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D2 D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Guinea pig Histamine A pKi 7.4 7.4 7.4 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.0 6.67 7.34 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 7.96 8.34 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.6 6.73 6.87 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.37 6.07 6.67 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.66 5.75 5.8 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.75 6.75 6.75 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.0 6.57 7.25 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.42 5.71 5.85 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.0 6.57 7.1 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.0 6.92 7.51 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.0 6.36 6.6 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.0 6.64 7.2 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.37 5.92 6.41 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.6 6.7 7.51 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.85 6.49 7.8 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.36 6.5 6.64 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.07 6.79 7.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.6 6.15 PDSP Ki database
H1 HRH1 Human Histamine A pKi 7.72 8.15 8.66 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.5 6.55 6.6 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.69 5.83 5.96 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 5.7 5.7 5.7 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.52 6.25 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.62 5.76 5.9 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.65 5.65 5.65 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.4 6.85 7.0 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.44 5.75 6.21 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.51 5.57 5.64 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.39 6.07 7.48 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.74 6.33 6.77 PDSP Ki database
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 5.92 5.92 5.92 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.87 6.09 6.2 PDSP Ki database
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 6.14 6.31 6.65 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.67 5.67 5.67 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.52 5.58 5.71 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 7.0 7.35 7.7 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.0 7.0 7.0 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.41 7.41 7.41 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 7.32 7.32 7.32 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.66 7.66 7.66 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.44 5.49 5.65 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 8.26 8.26 8.26 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 6.13 6.36 7.05 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 6.46 7.27 7.54 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.15 5.3 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.15 5.3 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
D1 DRD1 Human Dopamine A pKi 5.89 5.99 6.15 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D2 DRD2 Human Dopamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.08 6.59 8.04 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D4 DRD4 Human Dopamine A pKi 5.52 5.7 5.98 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.24 8.24 8.24 Drug Central
D5 DRD5 Human Dopamine A pKi 5.76 5.79 5.82 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 8.24 8.24 8.24 Drug Central
H1 HRH1 Human Histamine A pKi 8.0 8.35 8.7 Guide to Pharmacology
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
PAF PTAFR Human Platelet-activating factor A pKi 6.0 6.0 6.0 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
TP TA2R Human Prostanoid A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.89 5.89 5.89 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.19 6.4 6.74 PDSP Ki database
CB1 CNR1 Rat Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 6.18 6.18 6.18 PDSP Ki database
δ OPRD Mouse Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
α1B ADA1B Rat Adrenoceptors A pKi 7.87 7.87 7.87 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
CCK2 GASR Rat Cholecystokinin A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.77 5.8 5.82 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 6.54 6.54 6.54 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.09 6.37 6.64 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.61 5.85 6.08 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
α1A ADA1A Rat Adrenoceptors A pKi 7.46 7.46 7.46 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 7.72 7.72 7.72 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 8.13 8.13 8.13 Drug Central
H1 HRH1 Rat Histamine A pKi 7.68 7.82 7.96 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.27 5.29 5.3 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.87 6.87 6.87 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 5.7 5.81 5.93 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.48 6.8 7.16 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 8.17 8.17 8.17 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 6.92 6.92 6.92 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 5.0 5.0 5.0 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
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.42 5.42 5.42 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pIC50 7.0 7.0 7.0 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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.67 6.67 6.67 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.37 6.37 6.37 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.48 6.48 6.48 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.58 5.58 5.58 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.48 5.48 5.48 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.93 6.93 6.93 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.93 5.93 5.93 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
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.48 5.48 5.48 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.52 5.52 5.52 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 8.15 8.15 8.15 Drug Central
α1D ADA1D Human Adrenoceptors A pIC50 7.01 7.01 7.01 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.6 5.6 5.6 ChEMBL
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
α1B ADA1B Rat Adrenoceptors A pIC50 7.61 7.61 7.61 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.85 5.85 5.85 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.06 7.06 7.06 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.15 8.15 8.15 Drug Central
H1 HRH1 Rat Histamine A pIC50 7.4 7.4 7.4 ChEMBL
H1 HRH1 Rat Histamine A pIC50 8.13 8.13 8.13 Drug Central