| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 34 | Yes |
Popular Name: Pimozide Pimozide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2062-78-4 , [2062-78-4]
1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone
1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine
1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H- benzimidazol-2-one
1-[1-[4,4-bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one
1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone
1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
2-Benzimidazolinone, 1-(1-(4,4-bis(p-fluorophenyl)butyl)-4-piperidyl)-
2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-
2062-78-4; D00560; Orap (TN); Pimozide (JP16/USP/INN)
2062-78-4; Pimozide; Prestwick_395
2H-Benzimidazol-2-one, 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-
2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
5-24-02-00367 (Beilstein Handbook Reference)
Halomonth; Neoperidole; Opiran; Orap
Pharmascience Brand of Pimozide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.62 | 15.68 | -51.49 | 2 | 4 | 1 | 42 | 462.564 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.73e-03 g/l | DrugBank-approved |
| therap | antipsychotic | MicroSource Spectrum |
| Therapy | Ca2+ channel antagonist; antipsychotic; D2 dopamine receptor antagonist | SMDC Pharmakon |
| Patent Database Links | EP1438962; EP1621198; EP1627639; EP1712225; EP1844769; EP1884243; US2004142904; US2004254182; US2005009870; US2005014786; US2005070552; US2005080087; US2006166974; US2006199798; US2007185018; US2007203119; US2007207222; US2007225379; US2007232691; US20072 | ChEBI |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 71 | 0.29 | Binding ≤ 10μM |
| 5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
| CAC1G-1-E | Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 40 | 0.30 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 7300 | 0.21 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3760 | 0.22 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 990 | 0.25 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 372 | 0.26 | Binding ≤ 10μM |
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 340 | 0.27 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 18 | 0.32 | Functional ≤ 10μM |
| MDR1-1-E | P-glycoprotein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.25 | Functional ≤ 10μM |
| MDR3-1-E | P-glycoprotein 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4900 | 0.22 | Functional ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 9700 | 0.21 | ADME/T ≤ 10μM |
| DRD2-7-E | Dopamine D2 Receptor (cluster #7 Of 24), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 6310 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 12 | 0.33 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 1μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 0.6 | 0.38 | Binding ≤ 1μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 1μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 1μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 18 | 0.32 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 990 | 0.25 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 372 | 0.26 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 71 | 0.29 | Binding ≤ 1μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 0.5 | 0.38 | Binding ≤ 1μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 340 | 0.27 | Binding ≤ 1μM |
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 40 | 0.30 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 3760 | 0.22 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 10μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 0.6 | 0.38 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 12 | 0.33 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 0.4 | 0.39 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1700 | 0.24 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 990 | 0.25 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 372 | 0.26 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 71 | 0.29 | Binding ≤ 10μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 0.5 | 0.38 | Binding ≤ 10μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 340 | 0.27 | Binding ≤ 10μM |
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 40 | 0.30 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 18 | 0.32 | Functional ≤ 10μM |
| MDR1_HUMAN | P08183 | P-glycoprotein 1, Human | 2900 | 0.23 | Functional ≤ 10μM |
| MDR3_MOUSE | P21447 | P-glycoprotein 3, Mouse | 4900 | 0.22 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.23 | Functional ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 9700 | 0.21 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir transmembrane transport | |
| ABC-family proteins mediated transport | |
| Aflatoxin activation and detoxification | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| G-protein activation | |
| NCAM1 interactions | |
| Opioid Signalling | |
| Peptide ligand-binding receptors | |
| Serotonin receptors | |
| Voltage gated Potassium channels | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.