pimozide
SMILES | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 |
InChIKey | YVUQSNJEYSNKRX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 461.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Ligand site mutations | D2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.92 | 7.92 | 7.93 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKd | 7.54 | 7.54 | 7.54 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 9.3 | 9.3 | 9.3 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.54 | 8.86 | 10.22 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.19 | 6.46 | 7.06 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.31 | 7.81 | 8.23 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.37 | 7.45 | 7.52 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.96 | 9.05 | 9.7 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.92 | 6.24 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.12 | 5.24 | 5.39 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.09 | 9.19 | 9.22 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.43 | 8.62 | 8.82 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.51 | 5.51 | 5.51 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.6 | 8.77 | 9.42 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.71 | 5.71 | 5.71 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.26 | 5.8 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.4 | 7.7 | Guide to Pharmacology |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
D2 | DRD2 | Mouse | Dopamine | A | pKi | 9.72 | 9.72 | 9.72 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.11 | 7.52 | 7.84 | PDSP Ki database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.71 | 5.71 | 5.71 | PDSP Ki database |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.09 | 6.09 | 6.09 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.0 | 7.9 | 8.8 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.0 | 7.8 | 8.6 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 6.16 | 6.88 | 7.6 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
H4 | HRH4 | Human | Histamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
H4 | HRH4 | Human | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
D3 | DRD3 | Rat | Dopamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.3 | 9.3 | 9.3 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.92 | 5.05 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 5.05 | 5.2 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |
κ | OPRK | Human | Opioid | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
μ | OPRM | Human | Opioid | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |