| Compound Information | SONAR Target prediction |
| Name: | Cyclobenzaprine hydrochloride |
| Unique Identifier: | LOPAC 00773 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C20ClH22N |
| Molecular Weight: | 289.673 g/mol |
| X log p: | 24.082 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 3.24 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 |
| Class: | Serotonin |
| Action: | Antagonist |
| Selectivity: | 5-HT2 |
| Generic_name: | Cyclobenzaprine |
| Chemical_iupac_name: | 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449160 |
| Kegg_compound_id: | C06931 |
| Drugbank_id: | APRD00213 |
| Melting_point: | 216-218 oC (HCl salt) |
| H2o_solubility: | Freely Soluble |
| Logp: | 4.974 |
| Isoelectric_point: | 8.47 |
| Cas_registry_number: | 303-53-7 |
| Drug_category: | Tranquilizing Agents; Muscle Relaxants; Antidepressive Agents, Tricyclic; Skeletal Muscle Relaxants; ATC:M03BX08 |
| Indication: | For use as an adjunct to rest and physical therapy for relief of muscle spasm associated with acute, painful musculoskeletal conditions. |
| Pharmacology: | Cyclobenzaprine, closely related to the antidepressant amitriptyline, is used as a skeletal muscle relaxant to reduce pain and tenderness and improve mobility. Unlike dantrolene, cyclobenzaprine cannot be used to treat muscle spasm secondary to cerebral or spinal cord disease. |
| Mechanism_of_action: | Like other tricyclic antidepressants, cyclobenzaprine exhibits anticholinergic activity, potentiation of norepinephrine, and antagonism of reserpine. Cyclobenzaprine does not directly act on the neuromuscular junction or the muscle but relieves muscle spasms through a central action, possibly at the brain stem level. Cyclobenzaprine binds to the serotonin receptor and is considered a 5-HT2 receptor antagonist that reduces muscle tone by decreasing the activity of descending serotonergic neurons. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | BY4743 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8069±0.188939 |
| Normalized OD Score: sc h | 0.9903±0.0433017 |
| Z-Score: | -0.2935±1.19928 |
| p-Value: | 0.41644 |
| Z-Factor: | -116.986 |
| Fitness Defect: | 0.876 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 2895 |
| 9917 |
| 9918 |
| 22576 |
| 5351883 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01503207 | 1.0000 |
| active | Cluster 554 | Additional Members: 4 | Rows returned: 1 |
| SPE01503207 | 0 |
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