cinnarizine
| SMILES | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |
| InChIKey | DERZBLKQOCDDDZ-JLHYYAGUSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 368.2 |
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 | 7.88 | 7.88 | 7.88 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 6.85 | 6.85 | 6.85 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.04 | 6.04 | 6.04 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.65 | 5.65 | 5.65 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 7.13 | 7.13 | 7.13 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.44 | 6.44 | 6.44 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.11 | 6.11 | 6.11 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.5 | 4.63 | 4.9 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.3 | 5.53 | 5.75 | ChEMBL |