| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 28 | Yes |
Popular Name: Ziprasidone hydrochloride Ziprasidone hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122883-93-6 , 122883-93-6; 138982-67-9; 146939-27-7 , 138982-67-9 , 146939-27-7 , 199191-69-0 , [122883-93-6] , [138982-67-9] , [146939-27-7]
146939-27-7; C07568; Ziprasidone
146939-27-7; D08687; Zipradon (TN); Ziprasidone (INN)
199191-69-0; D02100; Geodon (TN); Ziprasidone mesylate (USAN); Ziprasidone mesylate hydrate
2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-
5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)-ethyl)-6-chloroindolin-2-one hydrochloride
5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one hydrochloride
5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one hydrochloride hydrate
5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-onehydrochloridehydrate
5-[2-[4- -1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-onehydrochloride
BENZOISOTHIAZOLYLPIPERAZINYLETHYLCHLOROINDOLINONEHYDROCHLORID
CP-88059; CP-880591; CP-88059-1; CP-8805927; CP-88059-27
CPD000466328; SAM001246607; ZIPRASIDONE
FDA); Ziprasidone Mesylate (FDA
Geodon; Ziprasidone; Ziprasidone hydrochloride
INN); Ziprasidone Mesylate (FDA
USAN); Ziprasidone Mesylate (FDA
ziprasidona; ziprasidone; ziprasidonum
Ziprasidone Hydrochloride (FDA
Ziprasidone hydrochloride monohydrate
Ziprasidone mesylate trihydrate
| 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) | 4.05 | 10.91 | -50.49 | 2 | 5 | 1 | 50 | 413.954 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 5.93 | -5.14 | 0 | 2 | 0 | 26 | 220.222 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 8.68 | -11.48 | 1 | 5 | 0 | 48 | 412.946 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | 5-HT Receptor,Dopamine Receptor | Selleck Chemicals |
| ALOGPS_SOLUBILITY | 7.18e-03 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Therapy | antipsychotic | SMDC Pharmakon |
| Indications | antipsychotic, schizophrenia, bipolar disorder | KeyOrganics Bioactives |
| Patent Database Links | EP0790236; EP0965343; EP1157726; EP1181933; EP1256578; EP1547650; EP1576985; EP1627639; EP1671972; EP1700857; EP1745774; EP1787990; EP1844769; EP1879027; EP1884243; EP1889844; EP1892243; EP1946777; EP1970052; EP1975169; US2004142904; US2005009870; US20050 | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01200z | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01200z | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-4-E | Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.39 | Binding ≤ 10μM |
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 76 | 0.36 | Binding ≤ 10μM |
| ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 5100 | 0.26 | Binding ≤ 10μM |
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 12 | 0.40 | Binding ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 12 | 0.40 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 390 | 0.32 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 390 | 0.32 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 390 | 0.32 | Binding ≤ 10μM |
| DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 39 | 0.37 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 510 | 0.31 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 151 | 0.34 | Binding ≤ 10μM |
| Q63380-1-E | Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.37 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 53 | 0.36 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 152 | 0.34 | Functional ≤ 10μM |
| DRD2-4-E | Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| Z104304-3-O | Adrenergic Receptor Alpha-1 (cluster #3 Of 3), Other | Other | 11 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 11 | 0.40 | Binding ≤ 1μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 1.9 | 0.44 | Binding ≤ 1μM |
| ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 0.5 | 0.47 | Binding ≤ 1μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 1.9 | 0.44 | Binding ≤ 1μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 1.9 | 0.44 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 390 | 0.32 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 390 | 0.32 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 390 | 0.32 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 130 | 0.34 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 2.8 | 0.43 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.42 | 0.47 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 10 | 0.40 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 32 | 0.37 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1000 | 0.30 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 47 | 0.37 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 150 | 0.34 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 2.5 | 0.43 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 0.42 | 0.47 | Binding ≤ 1μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 0.1 | 0.50 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 0.55 | 0.46 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 61 | 0.36 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 53 | 0.36 | Binding ≤ 1μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 48 | 0.37 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 11 | 0.40 | Binding ≤ 10μM |
| ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 0.5 | 0.47 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 1.9 | 0.44 | Binding ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 1.9 | 0.44 | Binding ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 1.9 | 0.44 | Binding ≤ 10μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 390 | 0.32 | Binding ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 390 | 0.32 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 390 | 0.32 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 130 | 0.34 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 2.8 | 0.43 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 0.42 | 0.47 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 10 | 0.40 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 32 | 0.37 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 6920 | 0.26 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 47 | 0.37 | Binding ≤ 10μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 150 | 0.34 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 5100 | 0.26 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 2.5 | 0.43 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 0.42 | 0.47 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 0.1 | 0.50 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 0.55 | 0.46 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 61 | 0.36 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 53 | 0.36 | Binding ≤ 10μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 48 | 0.37 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 152 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Dopamine receptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Histamine receptors | |
| Muscarinic acetylcholine receptors | |
| Serotonin receptors | |
| Voltage gated Potassium channels |
![5-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]oxindole](http://zinc12.docking.org/img/rings/220996.gif)
