flunarizine
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
| InChIKey | SMANXXCATUTDDT-QPJJXVBHSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 404.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.95 | 7.67 | 8.4 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.27 | 6.27 | 6.27 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.67 | 5.67 | 5.67 | ChEMBL |
| CB1 | CNR1 | Human | Cannabinoid | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.65 | 6.65 | 6.65 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.83 | 5.83 | 5.83 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.28 | 5.45 | 5.62 | ChEMBL |
| CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.45 | 6.45 | 6.45 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 8.26 | 8.26 | 8.26 | Drug Central |
| κ | OPRK | Human | Opioid | A | pIC50 | 8.3 | 8.3 | 8.3 | Drug Central |
| μ | OPRM | Human | Opioid | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.3 | 5.4 | 5.5 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.02 | 5.02 | 5.02 | ChEMBL |