| Compound Information | SONAR Target prediction |
| Name: | BUPIVACAINE HYDROCHLORIDE |
| Unique Identifier: | SPE01503818 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 295.658 g/mol |
| X log p: | 6.073 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 20.31 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C |
| Source: | synthetic |
| Therapeutics: | anesthetic (local) |
| Generic_name: | Levobupivacaine |
| Chemical_iupac_name: | 1-butyl-N-(2,6-dimethylphenyl)-piperidine-2-carboxamide |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA10324 |
| Kegg_compound_id: | C07887 |
| Drugbank_id: | APRD00110 |
| Logp: | 3.987 |
| Isoelectric_point: | 8.1 |
| Cas_registry_number: | 27262-47-1 |
| Drug_category: | Anesthetics; ATC:N01BB10 |
| Indication: | For the production of local or regional anesthesia for surgery and obstetrics, and for post-operative pain management |
| Pharmacology: | Levobupivacaine, a local anesthetic agent, is indicated for the production of local or regional anesthesia or analgesia for surgery, for oral surgery procedures, for diagnostic and therapeutic procedures, and for obstetrical procedures. |
| Mechanism_of_action: | Local anesthetics such as Levobupivacaine block the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. In general, the progression of anesthesia is related to the diameter, myelination and conduction velocity of affected nerve fibers. |
| 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 | 0.7303±0.00205061 |
| Normalized OD Score: sc h | 0.9910±0.00665443 |
| Z-Score: | -0.4837±0.364295 |
| p-Value: | 0.639784 |
| Z-Factor: | -12.4794 |
| Fitness Defect: | 0.4466 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 16 | 1 2 3 Next >> |
| 2474 | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide |
| 64737 | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride |
| 71273 | N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide |
| 92253 | (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide |
| 117963 | (2R)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide |
| 117964 | (2R)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride |
| internal high similarity DBLink | Rows returned: 2 |
| AW 00661 | 0.9011 |
| SPE01504148 | 0.9890 |
| active | Cluster 16932 | Additional Members: 4 | Rows returned: 0 |
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