| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 28 | Yes |
Popular Name: Cinnarizine Cinnarizine
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 298-57-7 , 7002-58-6 , [16699-20-0] , [298-57-7]
(E)-1-Benzhydryl-4-cinnamylpiperazine
1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine
1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine
1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
1-Benzhydryl-4-((E)-3-phenyl-allyl)-piperazine
1-Benzhydryl-4-cinnamylpiperazin
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine
1-Cinnamyl-4-(diphenylmethyl)piperazine
1-trans-cinnamyl-4-diphenylmethylpiperazine
298-57-7; Cinnarizine (JAN/USAN/INN); D01295
298-57-7; Cinnarizine; Prestwick_115
7002-58-6; Celenid (TN); Cinnarizine dihydrochloride; D07734
cinarizina; cinnarizine; cinnarizinum
Cinnarizine [USAN:INN:BAN:JAN]
N-Benzhydryl-N'-cinnamylpiperazine
Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-
piperazine, 1-(diphenylmethyl)-4-[(2E)-3-phenyl-2-propenyl]-
| 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) | 5.76 | 14.85 | -39.79 | 1 | 2 | 1 | 8 | 369.532 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 14.4 | -34.62 | 1 | 2 | 1 | 8 | 369.532 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 12.57 | -3.99 | 0 | 2 | 0 | 6 | 368.524 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Histamine H 1 receptor antagonist | ZereneX Building Blocks |
| biological_use | Cerebral blood flow improver used for treatment of apoplexy and arteriosclerosis | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.72e-03 g/l | DrugBank-approved |
| mechanism | Calcium antagonist | IBScreen Bioactives |
| biological_use | Cerebral blood flow improver used for treatment of apoplexy and arteriosclerosis | IBScreen Bioactives |
| Patent Database Links | EP1514877; EP1543841; EP1829534; EP1832287; EP1844774; US2007248556; WO2007098387; WO2007098390 | ChEBI |
| mechanism | Histamine H 1 receptor antagonist | IBScreen Bioactives IBScreen Bioactives |
| Indications | motion sickness | KeyOrganics Bioactives |
| mechanism | Reported catecholamine depletor | IBScreen Bioactives |
| mechanism | Reported inhibitor of bioenergetics of chromaffin granule ghosts | IBScreen Bioactives |
| mechanism | Reported Mg-atpase inhibitor | IBScreen Bioactives |
| mechanism | Reported Proton pump uncoupler | IBScreen Bioactives |
| mechanism | Reported to inhibit cardiac liposomal lipid peroxidation mediated by the xanthine oxidase system | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 440 | 0.32 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 440 | 0.32 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 440 | 0.32 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 440 | 0.32 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.26 | Functional ≤ 10μM |
| Z80682-7-O | A549 (Lung Carcinoma Cells) (cluster #7 Of 11), Other | Other | 9800 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 1μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 1μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 1μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 1μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 440 | 0.32 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 9800 | 0.25 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
No pre-computed analogs available. Try a structural similarity search.