| Compound Information | SONAR Target prediction |
| Name: | Ivermectin |
| Unique Identifier: | Prest516 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C48H74O14 |
| Molecular Weight: | 802.521 g/mol |
| X log p: | 8.306 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 109.37 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 14 |
| Rotatable Bond Count: | 8 |
| Canonical Smiles: | CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3 )C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C43O)O2 |
| Generic_name: | Ivermectin |
| Chemical_iupac_name: | Ivermetcin |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450133 |
| Kegg_compound_id: | C07970 |
| Drugbank_id: | APRD01058 |
| Melting_point: | 155 oC |
| H2o_solubility: | Insoluble |
| Logp: | 6.704 |
| Cas_registry_number: | 70288-86-7 (71827-03-7) |
| Drug_category: | Anthelmintics; Antinematodal Agents; Antiprotozoal Agents; ATC:P02CF01 |
| Indication: | For the treatment of intestinal (i.e., nondisseminated) strongyloidiasis due to the nematode parasite Strongyloides stercoralis. Also for the treatment of onchocerciasis (river blindness) due to the nematode parasite Onchocerca volvulus. Can be used to treat scabies caused by Sarcoptes scabiei. |
| Pharmacology: | Ivermectin is a semisynthetic, anthelminitic agent. It is an avermectin which a group of pentacyclic sixteen-membered lactone (i.e. a macrocyclic lactone disaccharide) derived from the soil bacterium Streptomyces avermitilis. Avermectins are potent anti-parasitic agents. Ivermectin is the most common avermectin. It is a broad spectrum antiparasitic drug for oral administration. It is sometimes used to treat human onchocerciasis (river blindness). It is the mixture of 22,23-dihydro-avermectin B1a (at least 90%) and 22,23-dihydro-avermectin B1b (less than 10%). |
| Mechanism_of_action: | Ivermectin binds selectively and with high affinity to glutamate-gated chloride ion channels in invertebrate muscle and nerve cells of the microfilaria. This binding causes an increase in the permeability of the cell membrane to chloride ions and results in hyperpolarization of the cell, leading to paralysis and death of the parasite. Ivermectin also is believed to act as an agonist of the neurotransmitter gamma-aminobutyric acid (GABA), thereby disrupting GABA-mediated central nervous system (CNS) neurosynaptic transmission. Ivermectin may also impair normal intrauterine development of O. volvulus microfilariae and may inhibit their release from the uteri of gravid female worms. |
| Organisms_affected: | Parasitic nematodes and other roundworms |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1956.0000±0 |
| Normalized OD Score: sc h | 0.9752±0 |
| Z-Score: | -0.5601±0 |
| p-Value: | 0.57542 |
| Z-Factor: | -10.9355 |
| Fitness Defect: | 0.5527 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 75 | 1 2 3 4 5 6 7 8 9 10 Next >> |
| 2262 |
| 62262 |
| 441355 |
| 441356 |
| 443536 |
| 443537 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 12611 | Additional Members: 6 | Rows returned: 3 |
| SPE01503720 | 0.302325581395349 |
| SPE01502260 | 0.1875 |
| LOPAC 00986 | 0 |
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