| Compound Information | SONAR Target prediction |
| Name: | CARBAMAZEPINE |
| Unique Identifier: | SPE01500159 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 224.173 g/mol |
| X log p: | 20.464 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 20.31 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | NC(=O)N1c2ccccc2C=Cc2ccccc12 |
| Source: | synthetic |
| Therapeutics: | analgesic, anticonvulsant |
| Generic_name: | Carbamazepine |
| Chemical_iupac_name: | 5H-dibenz[b,f]azepine-5-carboxamide |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C06868 |
| Drugbank_id: | APRD00337 |
| Melting_point: | 190.2 oC |
| H2o_solubility: | 17.7 mg/L |
| Logp: | 2.69 |
| Cas_registry_number: | 298-46-4 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C298464&Index=0&Type=Mass&Large=on |
| Drug_category: | Analgesics; Antimanic Agents; Anticonvulsants; ATC:N03AF01 |
| Indication: | For the treatment of epilepsy and pain associated with true trigeminal neuralgia. |
| Pharmacology: | Carbamazepine, an anticonvulsant structurally similar to tricyclic antidepressants, is used to treat partial seizures, tonic-clonic seizures, pain of neurologic origin such as trigeminal neuralgia, and psychiatric disorders including manic-depressive illness and aggression due to dementia. |
| Mechanism_of_action: | Carbamazepine inhibits sustained repetitive firing by blocking use-dependent sodium channels. Pain relief is believed to be associated with blockade of synaptic transmission in the trigeminal nucleus and seizure control with reduction of post-tetanic potentiation of synaptic transmission in the spinal cord. Carbamazepine also possesses anticholinergic, central antidiuretic, antiarrhythmic, muscle relaxant, antidepressant (possibly through blockade of norepinephrine release), sedative, and neuromuscular-blocking properties. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7584±0.00473762 |
| Normalized OD Score: sc h | 1.0193±0.000650629 |
| Z-Score: | 1.0257±0.0122662 |
| p-Value: | 0.305052 |
| Z-Factor: | -2.26272 |
| Fitness Defect: | 1.1873 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2 |
| 2554 |
| 158856 |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00496 | 1.0000 |
| active | Cluster 6146 | Additional Members: 5 | Rows returned: 0 |
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