PALIPERIDONE


SMILES Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
InChIKey PMXMIIMHBWHSKN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 426.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.89 8.89 8.89 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 6.17 6.23 6.29 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.46 5.47 5.49 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 8.17 8.36 8.46 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.15 7.24 7.33 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.2 6.24 6.32 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.96 7.51 7.92 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.77 7.44 7.82 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.5 5.99 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 7.89 8.04 8.12 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 8.0 8.0 8.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.72 9.0 9.37 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.52 7.92 8.33 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 7.24 7.63 8.03 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 7.96 8.2 8.43 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.03 8.62 9.4 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.16 9.07 10.0 PDSP Ki database
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 7.49 8.07 8.47 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.32 7.32 7.32 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 6.56 6.56 6.56 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.57 8.57 8.57 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 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 5.0 5.0 5.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 9.15 9.15 9.15 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.6 8.6 8.6 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 7.39 7.39 7.39 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.27 7.27 7.27 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 7.54 7.54 7.54 PDSP Ki database
H2 HRH2 Human Histamine A pKi 6.92 6.92 6.92 PDSP Ki database
κ OPRK Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
CB2 CNR2 Human Cannabinoid 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
CB1 CNR1 Rat Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 6.93 6.93 6.93 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
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
H4 HRH4 Human Histamine A pKi 5.06 5.06 5.06 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
D1 DRD1 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.04 8.04 8.04 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.09 8.09 8.09 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
D3 DRD3 Human Dopamine A pKi 8.04 8.04 8.04 Drug Central
D4 DRD4 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
D5 DRD5 Human Dopamine A pKi 8.12 8.12 8.12 Drug Central
H1 HRH1 Human Histamine A pKi 8.08 8.08 8.08 Drug Central
H2 HRH2 Human Histamine A pKi 8.16 8.16 8.16 Drug Central
H4 HRH4 Human Histamine A pKi 8.3 8.3 8.3 Drug Central
EP3 PE2R3 Human Prostanoid A pKi 8.3 8.3 8.3 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
D2 DRD2 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.28 8.28 8.28 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.08 8.08 8.08 ChEMBL