ziprasidone


SMILES O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2
InChIKey MVWVFYHBGMAFLY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 412.1

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-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.9 8.4 8.9 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.8 9.16 9.51 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.9 8.46 9.01 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 8.55 8.55 8.55 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 7.4 7.6 7.8 Guide to Pharmacology
H1 HRH1 Guinea pig Histamine A pKi 7.8 7.8 7.8 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.3 9.3 9.3 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.22 8.27 8.3 ChEMBL
H1 HRH1 Human Histamine A pKi 6.29 7.4 8.28 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.32 8.32 8.32 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.3 7.41 7.5 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.22 8.22 8.22 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.48 7.13 8.02 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.12 7.29 7.7 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.89 8.57 9.26 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.29 5.29 5.29 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.0 8.12 8.2 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.77 9.44 10.1 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.43 8.39 8.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.9 8.54 9.1 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.48 9.13 9.6 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.31 8.31 8.31 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.89 6.89 6.89 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.12 8.21 8.82 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.24 8.21 9.0 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.05 8.43 8.77 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 7.77 8.0 8.12 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 8.28 8.28 8.28 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 6.48 7.25 8.02 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 8.01 8.37 8.55 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.89 6.17 6.44 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.77 9.36 10.1 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.8 6.8 6.8 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.01 8.39 8.92 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.0 8.21 8.96 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 7.32 7.32 7.32 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 7.11 7.15 7.23 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.29 5.59 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.15 5.3 PDSP Ki database
H1 HRH1 Human Histamine A pKi 6.89 7.51 8.34 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.17 8.24 9.26 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.43 7.43 7.43 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 6.29 6.29 6.29 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.89 8.79 9.14 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
D4 DRD4 Human Dopamine A pKi 6.0 7.41 9.1 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.52 6.53 6.54 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.12 7.25 7.7 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.61 6.52 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.37 5.6 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.3 5.89 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.4 5.8 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 8.05 8.05 8.05 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 7.74 7.74 7.74 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.88 7.1 7.52 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.46 5.46 5.46 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
H3 HRH3 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.03 8.18 8.33 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.4 5.8 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
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
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
κ OPRK Guinea pig Opioid 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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.56 7.96 8.36 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.25 5.25 5.25 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.3 8.3 8.3 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.24 8.24 8.24 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.24 8.24 8.24 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
D2 DRD2 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D3 DRD3 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
D4 DRD4 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
D5 DRD5 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
H1 HRH1 Human Histamine A pKi 8.13 8.13 8.13 Drug Central
H2 HRH2 Human Histamine A pKi 8.26 8.26 8.26 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
H1 HRH1 Guinea pig Histamine A pKi 8.11 8.11 8.11 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.08 8.08 8.08 Drug Central
D1 DRD1 Human Dopamine A pKi 8.1 8.1 8.1 Drug Central
D5 DRD5 Human Dopamine A pKi 6.82 6.82 6.82 PDSP Ki database
α1A ADA1A Rat Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 6.82 6.82 6.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 9.38 9.38 9.38 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.3 8.3 8.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.07 8.07 8.07 Drug Central
H1 HRH1 Rat Histamine A pIC50 8.17 8.17 8.17 Drug Central