Molecule Details
| InChIKey | SMANXXCATUTDDT-QPJJXVBHSA-N |
|---|---|
| Compound Name | Flunarizine |
| Canonical SMILES | Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 25 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.45 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04841 |
|---|---|
| Drug Name | Flunarizine |
| CAS Number | 52468-60-7 |
| Groups | approved investigational |
| ATC Codes | N07CA03 |
| Description | Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is 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. |
Categories: Agents causing hyperkalemia Antiarrhythmic agents Anticonvulsants Antimigraine Agents, Miscellaneous Antivertigo Preparations Bradycardia-Causing Agents Calcium Channel Blockers Calcium-Regulating Hormones and Agents Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Histamine Agents Histamine Antagonists Histamine H1 Antagonists Membrane Transport Modulators Nervous System Neurotransmitter Agents Piperazine Derivatives Piperazines Vasodilating Agents
Cross-references: BindingDB: 50017702 ChEBI: 135652 CHEMBL30008 ChemSpider: 819216 Drugs Product Database (DPD): 11229 D01303 PharmGKB: PA164776636 PubChem:941361 PubChem:46507129 RxCUI: 4459 Therapeutic Targets Database: DAP000142 Wikipedia: Flunarizine ZINC: ZINC000019360739
Target Activities (25)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.8 | IC50 | ChEMBL |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 7.3 | IC50 | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.4 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |
| O43497 | CACNA1G | Homo sapiens | Human | PF00520 | 6.3 | Kd | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.3 | IC50 | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | pIC50 | TTD_MultiTarget |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.3 | IC50 | ChEMBL |
| P35498 | SCN1A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q99250 | SCN2A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.2 | IC50 | ChEMBL |
| Q9NY46 | SCN3A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.2 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P51589 | CYP2J2 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| Q9P0X4 | CACNA1I | Homo sapiens | Human | PF00520 | 6.1 | Kd | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P0DP23 | CALM1 | Calmodulin | antagonist | targets |
| P35367 | HRH1 | Histamine H1 receptor | antagonist | targets |
| O00555 | CACNA1A | Voltage-dependent P/Q-type calcium channel subunit alpha-1A | inhibitor | targets |
| O43497 | CACNA1G | Voltage-dependent T-type calcium channel subunit alpha-1G | inhibitor | targets |
| O95180 | CACNA1H | Voltage-dependent T-type calcium channel subunit alpha-1H | inhibitor | targets |
| Q9P0X4 | CACNA1I | Voltage-dependent T-type calcium channel subunit alpha-1I | inhibitor | targets |