| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 30 | Yes |
Popular Name: Flunarizine dihydrochloride Flunarizine dihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30484-77-6 , 30484-77-6, 52468-60-7 , 30484-77-6, 52468-60-7 [flunarazine] , 30484-77-6; 52468-60-7 , 52468-60-7 , [30484-77-6]
(E)-1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)piperazine
(E)-1-[Bis-(p-fluorophenyl)methyl]-4-cinnamylpiperazine
1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine
1-[Bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine
1-[bis(4-Fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine dihydrochloride
1-[Bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine
1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
1-[Bis-(4-fluoro-phenyl)-methyl]-4-((E)-3-phenyl-allyl)-piperazine
30484-77-6; D01303; Flunarizine hydrochloride (JAN/USAN)
30484-77-6; Flunarizine dihydrochloride; Prestwick_222
52468-60-7; D07971; Flunarizine (INN); Sibelium (TN)
INN); Flunarizine Hydrochloride (JAN
Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-
Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)-, (E)-
Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, (E)-
Piperazine, 1-[bis(4-fluorophenyl)methyl]-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) | 6.09 | 14.99 | -46.52 | 1 | 2 | 1 | 8 | 405.512 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.09 | 14.54 | -45.46 | 1 | 2 | 1 | 8 | 405.512 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.09 | 12.7 | -5.38 | 0 | 2 | 0 | 6 | 404.504 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.68e-03 g/l | DrugBank-approved |
| Purity | 98% | APIChem |
| Therapy | Ca2+/Na+ channel blocker; vasodilator | SMDC Iconix |
| Target | Calcium Channel | Selleck Chemicals |
| mechanism | Calcium channel blocker | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy. | IBScreen Bioactives |
| mechanism | Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity | IBScreen Bioactives |
| biological_use | It may help to reduce the severity and duration of attacks of paralysis associated with the more serious form of alternating hemiplegia. | IBScreen Bioactives |
| Indications | prophylaxis of migraine | KeyOrganics Bioactives |
| therap | vasodilator | MicroSource Spectrum |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1-1-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 80 | 0.33 | Binding ≤ 10μM |
| CAC1B-1-E | Voltage-gated N-type Calcium Channel Alpha-1B Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 80 | 0.33 | Binding ≤ 10μM |
| CAC1G-1-E | Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 530 | 0.29 | Binding ≤ 10μM |
| CAC1H-1-E | Voltage-gated T-type Calcium Channel Alpha-1H Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3600 | 0.25 | Binding ≤ 10μM |
| CAC1I-1-E | Voltage-gated T-type Calcium Channel Alpha-1I Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 840 | 0.28 | Binding ≤ 10μM |
| CACB1-1-E | Voltage-dependent L-type Calcium Channel Subunit Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 80 | 0.33 | Binding ≤ 10μM |
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3630 | 0.25 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9480 | 0.23 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2410 | 0.26 | Binding ≤ 10μM |
| P97706-1-E | Sodium Channel Protein Type VI Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 350 | 0.30 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.29 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.29 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.29 | Binding ≤ 10μM |
| SCN5A-1-E | Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 350 | 0.30 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.29 | Binding ≤ 10μM |
| CAC1G-1-E | Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.26 | Functional ≤ 10μM |
| CAC1H-1-E | Voltage-gated T-type Calcium Channel Alpha-1H Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.26 | Functional ≤ 10μM |
| CAC1I-1-E | Voltage-gated T-type Calcium Channel Alpha-1I Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.26 | Functional ≤ 10μM |
| P97706-1-E | Sodium Channel Protein Type VI Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.32 | Functional ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 290 | 0.31 | Functional ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 420 | 0.30 | Functional ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 290 | 0.31 | Functional ≤ 10μM |
| SCN5A-1-E | Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.32 | Functional ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 290 | 0.31 | Functional ≤ 10μM |
| DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 228 | 0.31 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.25 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 7300 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 228 | 0.31 | Binding ≤ 1μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 1μM |
| SCN1A_RAT | P04774 | Sodium Channel Protein Type I Alpha Subunit, Rat | 53 | 0.34 | Binding ≤ 1μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 490 | 0.29 | Binding ≤ 1μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 1μM |
| SCN3A_RAT | P08104 | Sodium Channel Protein Type III Alpha Subunit, Rat | 53 | 0.34 | Binding ≤ 1μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 1μM |
| SCN5A_RAT | P15389 | Sodium Channel Protein Type V Alpha Subunit, Rat | 350 | 0.30 | Binding ≤ 1μM |
| P97706_RAT | P97706 | Sodium Channel Protein Type VI Alpha Subunit, Rat | 350 | 0.30 | Binding ≤ 1μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 1μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 53 | 0.34 | Binding ≤ 1μM |
| CACB1_RAT | P54283 | Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat | 80 | 0.33 | Binding ≤ 1μM |
| CA2D1_RAT | P54290 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat | 80 | 0.33 | Binding ≤ 1μM |
| CAC1B_RAT | Q02294 | Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat | 80 | 0.33 | Binding ≤ 1μM |
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 530 | 0.29 | Binding ≤ 1μM |
| CAC1I_HUMAN | Q9P0X4 | Voltage-gated T-type Calcium Channel Alpha-1I Subunit, Human | 840 | 0.28 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 3630 | 0.25 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 228 | 0.31 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 9480 | 0.23 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 2410 | 0.26 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 10μM |
| SCN1A_RAT | P04774 | Sodium Channel Protein Type I Alpha Subunit, Rat | 53 | 0.34 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 10μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 490 | 0.29 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 10μM |
| SCN3A_RAT | P08104 | Sodium Channel Protein Type III Alpha Subunit, Rat | 53 | 0.34 | Binding ≤ 10μM |
| SCN5A_RAT | P15389 | Sodium Channel Protein Type V Alpha Subunit, Rat | 350 | 0.30 | Binding ≤ 10μM |
| P97706_RAT | P97706 | Sodium Channel Protein Type VI Alpha Subunit, Rat | 350 | 0.30 | Binding ≤ 10μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 53 | 0.34 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 600 | 0.29 | Binding ≤ 10μM |
| CACB1_RAT | P54283 | Voltage-dependent L-type Calcium Channel Subunit Beta-1, Rat | 80 | 0.33 | Binding ≤ 10μM |
| CA2D1_RAT | P54290 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Rat | 80 | 0.33 | Binding ≤ 10μM |
| CAC1B_RAT | Q02294 | Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Rat | 80 | 0.33 | Binding ≤ 10μM |
| CAC1B_HUMAN | Q00975 | Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Human | 1670 | 0.27 | Binding ≤ 10μM |
| CAC1G_HUMAN | O43497 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human | 530 | 0.29 | Binding ≤ 10μM |
| CAC1H_HUMAN | O95180 | Voltage-gated T-type Calcium Channel Alpha-1H Subunit, Human | 3600 | 0.25 | Binding ≤ 10μM |
| CAC1I_HUMAN | Q9P0X4 | Voltage-gated T-type Calcium Channel Alpha-1I Subunit, Human | 840 | 0.28 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3981.07171 | 0.25 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 2000 | 0.27 | Functional ≤ 10μM |
| SCN1A_RAT | P04774 | Sodium Channel Protein Type I Alpha Subunit, Rat | 290 | 0.31 | Functional ≤ 10μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 290 | 0.31 | Functional ≤ 10μM |
| SCN3A_RAT | P08104 | Sodium Channel Protein Type III Alpha Subunit, Rat | 290 | 0.31 | Functional ≤ 10μM |
| SCN5A_RAT | P15389 | Sodium Channel Protein Type V Alpha Subunit, Rat | 120 | 0.32 | Functional ≤ 10μM |
| P97706_RAT | P97706 | Sodium Channel Protein Type VI Alpha Subunit, Rat | 120 | 0.32 | Functional ≤ 10μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 290 | 0.31 | Functional ≤ 10μM |
| CAC1G_RAT | O54898 | Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Rat | 2200 | 0.26 | Functional ≤ 10μM |
| CAC1H_RAT | Q9EQ60 | Voltage-gated T-type Calcium Channel Alpha-1H Subunit, Rat | 2200 | 0.26 | Functional ≤ 10μM |
| CAC1I_RAT | Q9Z0Y8 | Voltage-gated T-type Calcium Channel Alpha-1I Subunit, Rat | 2200 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Depolarization of the Presynaptic Terminal Triggers the Opening of Calcium Chann | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G-protein activation | |
| Interaction between L1 and Ankyrins | |
| NCAM1 interactions | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.