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-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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | 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 | Rat | 5-Hydroxytryptamine | A | pKi | 9.6 | 9.63 | 9.66 | PDSP Ki 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 |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.72 | 9.0 | 9.37 | 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 |
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 |
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 |
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 |
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 |
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 |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 6.93 | 6.93 | 6.93 | 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 |
TP | TA2R | Human | Prostanoid | 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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | 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 |