| Compound Information | SONAR Target prediction |
| Name: | Cyproheptadine hydrochloride |
| Unique Identifier: | Prest139 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C21ClH22N |
| Molecular Weight: | 301.684 g/mol |
| X log p: | 22.059 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 3.24 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc21 |
| Generic_name: | Cyproheptadine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449169 |
| Drugbank_id: | APRD00033 |
| Melting_point: | 215-217 oC |
| H2o_solubility: | Soluble |
| Logp: | 4.682 |
| Cas_registry_number: | 03/03/129 |
| Drug_category: | Anti-allergic Agents; Gastrointestinal Agents; Antipruritics; Antihistamine derivatives; ATC:R06AX02 |
| Indication: | For treatment of perennial and seasonal allergic rhinitis, vasomotor rhinitis, allergic conjunctivitis due to inhalant allergens and foods, mild uncomplicated allergic skin manifestations of urticaria and angioedema, amelioration of allergic reactions to blood or plasma, cold urticaria, dermatographism, and as therapy for anaphylactic reactions adjunctive to epinephrine. |
| Pharmacology: | Cyproheptadine is a piperidine antihistamine. Unlike other antihistamines, this drug also antagonizes serotonin receptors. This action makes Cyproheptadine useful in conditions such as vascular headache and anorexia. Cyproheptadine does not prevent the release of histamine but rather competes with free histamine for binding at HA-receptor sites. Cyproheptadine competitively antagonizes the effects of histamine on HA-receptors in the GI tract, uterus, large blood vessels, and bronchial smooth muscle. Most antihistamines possess significant anticholinergic properties, but Cyproheptadine exerts only weak anticholinergic actions. Blockade of central muscarinic receptors appears to account for Cyproheptadine-s antiemetic effects, although the exact mechanism is unknown. Cyproheptadine also competes with serotonin at receptor sites in smooth muscle in the intestines and other locations. Antagonism of serotonin on the appetite center of the hypothalamus may account for Cyproheptadine-s ability to stimulate appetite. Cyproheptadine also has been used to counter vascular headaches, which many believe are caused by changes in serotonin activity, however it is unclear how Cyproheptadine exerts a beneficial effect on this condition. |
| Mechanism_of_action: | Cyproheptadine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | << Back 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre002 |
| Replicates: | 2 |
| Raw OD Value: r im | 9938.0000±0 |
| Normalized OD Score: sc h | 0.9587±0 |
| Z-Score: | -0.9307±0 |
| p-Value: | 0.351986 |
| Z-Factor: | -14.7473 |
| Fitness Defect: | 1.0442 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 2913 |
| 13770 |
| 657241 |
| 4141783 |
| 6441505 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 4311 | Additional Members: 10 | Rows returned: 2 |
| SPE01501114 | 0.571428571428571 |
| SPE01505003 | 0.46875 |
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