| Compound Information | SONAR Target prediction |
| Name: | CARBACHOL |
| Unique Identifier: | SPE01500158 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 167.529 g/mol |
| X log p: | 0.119 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | [ClH-].C[N+](C)(C)CCOC(N)=O |
| Source: | synthetic |
| Therapeutics: | cholinergic, miotic |
| Generic_name: | Carbachol |
| Chemical_iupac_name: | 2-carbamoyloxyethyl-trimethyl-ammonium |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448784 |
| Kegg_compound_id: | D00524 |
| Drugbank_id: | APRD00845 |
| Melting_point: | 210 oC |
| H2o_solubility: | 1 g/ml |
| Logp: | -3.78 |
| Cas_registry_number: | 51-83-2 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C51832&Index=0&Type=Mass&Large=on |
| Drug_category: | Analgesics, Non-Narcotic; Cardiotonic Agents; Cholinergic Agonists; Miotics; ATC:N07AB01; ATC:S01EB02 |
| Indication: | Primarily used in the treatment of glaucoma, but is also used during ophthalmic surgery. |
| Pharmacology: | Carbachol is a potent cholinergic (parasympathomimetic) agent which produces constriction of the iris and ciliary body resulting in reduction in intraocular pressure. The exact mechanism by which carbachol lowers intraocular pressure is not precisely known. In the cat and rat, carbachol is well-known for its ability to induce rapid eye movement (REM) sleep when microinjected into the pontine reticular formation. Carbachol elicits this REM sleep-like state via activation of postsynaptic muscarinic cholinergic receptors (mAChRs). |
| Mechanism_of_action: | Carbachol is a parasympathomimetic that stimulates both muscarinic and nicotinic receptors. In topical ocular and intraocular administration its principal effects are miosis and increased aqueous humour outflow. |
| 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 | 0.7466±0.00346482 |
| Normalized OD Score: sc h | 1.0098±0.000524544 |
| Z-Score: | 0.5227±0.0390815 |
| p-Value: | 0.601348 |
| Z-Factor: | -5.11079 |
| Fitness Defect: | 0.5086 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 2551 | 2-carbamoyloxyethyl-trimethyl-azanium |
| 5831 | 2-carbamoyloxyethyl-trimethyl-azanium chloride |
| 48130 | 2-carbamoyloxyethyl-dimethyl-azanium chloride |
| 48131 | 2-dimethylaminoethyl carbamate |
| 200564 | 2-carbamoyloxyethyl-trimethyl-azanium iodide |
| 206532 | 2-carbamoyloxyethyl-trimethyl-azanium bromide |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00183 | 1.0000 |
| active | Cluster 239 | Additional Members: 7 | Rows returned: 2 |
| LOPAC 00736 | 0.451612903225806 |
| SPE01500104 | 0.428571428571429 |
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