iloperidone


SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C
InChIKey XMXHEBAFVSFQEX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 426.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 Guide to Pharmacology
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.03 7.28 7.57 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.0 7.03 7.05 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.25 9.39 9.96 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.6 7.29 7.85 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.74 7.0 7.2 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.79 6.79 6.79 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.79 6.79 6.79 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.67 7.02 7.37 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.67 8.34 9.46 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 6.36 6.36 6.36 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.82 7.91 8.0 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.37 7.37 7.37 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.51 8.51 8.51 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 6.26 6.26 6.26 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.67 7.67 7.67 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 7.27 7.27 7.27 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.85 8.0 8.15 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.6 8.1 8.6 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.5 6.5 6.5 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.95 7.53 8.11 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 7.79 7.79 7.79 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
CCK2 GASR Human Cholecystokinin A pKi 5.0 5.0 5.0 PDSP Ki database
δ OPRD Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
NK1 NK1R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.31 5.31 5.31 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.48 5.48 5.48 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.08 5.08 5.08 PDSP Ki database
H1 HRH1 Human Histamine A pKi 7.91 7.91 7.91 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.57 7.57 7.57 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.26 6.33 6.4 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.15 8.15 8.15 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.01 8.01 8.01 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.27 8.27 8.27 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.29 8.29 8.29 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
D1 DRD1 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
D2 DRD2 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D3 DRD3 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
D4 DRD4 Human Dopamine A pKi 8.12 8.12 8.12 Drug Central
H1 HRH1 Human Histamine A pKi 8.1 8.1 8.1 Drug Central
CCK2 GASR Human Cholecystokinin A pKi 8.3 8.3 8.3 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
NK3 NK3R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 6.96 6.96 6.96 Guide to Pharmacology
α2A ADA2A Rat Adrenoceptors A pIC50 9.4 9.4 9.4 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.96 6.96 6.96 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.96 6.96 6.96 ChEMBL
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pIC50 8.18 8.18 8.18 Drug Central
α2A ADA2A Rat Adrenoceptors A pIC50 8.03 8.03 8.03 Drug Central
D2 DRD2 Rat Dopamine A pIC50 8.16 8.16 8.16 Drug Central
D1 DRD1 Mouse Dopamine A pIC50 8.21 8.21 8.21 Drug Central
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 8.09 8.09 8.09 Drug Central
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 8.05 8.05 8.05 ChEMBL
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pIC50 6.68 6.68 6.68 ChEMBL
D1 DRD1 Mouse Dopamine A pIC50 6.12 6.12 6.12 ChEMBL