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Compound InformationSONAR Target prediction
Name:

ABAMECTIN

Unique Identifier:SPE01502260
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:800.505 g/mol
X log p:12.395  (online calculus)
Lipinksi Failures2
TPSA109.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:14
Rotatable Bond Count:8
Canonical Smiles:CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C
=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C54O)O2)C=CC1C
Class:macrolide
Source:Streptomyces avermitilis
Therapeutics:antiparisitic (avermectin A1a shown)
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: 217 active | as graph: single | with analogs [1] << Back 211 212 213 214 215 216 217 Next >> [217]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.4644±0.027365
Normalized OD Score: sc h 0.7126±0.0295471
Z-Score: -4.6495±0.705866
p-Value: 0.0000167257
Z-Factor: 0.471132
Fitness Defect: 10.9986
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00125
Plate DMSO Control (-):0.6262±0.01296
Plate Z-Factor:0.9211
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DBLink | Rows returned: 752 3 4 5 6 7 8 9 10  Next >> 
2262
62262
441355
441356
443536
443537

internal high similarity DBLink | Rows returned: 2
SPE01503720 0.9671
LOPAC 00986 1.0000

active | Cluster 12611 | Additional Members: 6 | Rows returned: 2
SPE01503720 0.302325581395349
LOPAC 00986 0

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