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Compound InformationSONAR Target prediction
Name:

Naloxone hydrochloride

Unique Identifier:Prest879
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19ClH22NO4
Molecular Weight:341.66 g/mol
X log p:5.182  (online calculus)
Lipinksi Failures1
TPSA29.54
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:Cl.Oc1ccc2CC3N(CCC45C(Oc1c24)C(=O)CCC35O)CC=C
Generic_name:Naloxone
Drug_type:Approved Drug
Pharmgkb_id:PA450586
Kegg_compound_id:C07252
Drugbank_id:APRD00025
Melting_point:200 - 205 oC
H2o_solubility:Soluble
Logp:1.464
Cas_registry_number:465-65-6
Drug_category:Antinarcotic Agents; Depressants; Opiate Antagonists; ATC:V03AB15
Indication:For the complete or partial reversal of narcotic depression, including respiratory
depression, induced by opioids including natural and synthetic narcotics,
propoxyphene, methadone and the narcotic-antagonist analgesics: nalbuphine,
pentazocine and butorphanol.
Pharmacology:Naloxone is an opiate antagonist and prevents or reverses the effects of opioids
including respiratory depression, sedation and hypotension. Also, it can reverse the
psychotomimetic and dysphoric effects of agonist-antagonists such as pentazocine.
Naloxone is an essentially pure narcotic antagonist, i.e., it does not possess the
"agonistic" or morphine-like properties characteristic of other narcotic
antagonists; naloxone does not produce respiratory depression, psychotomimetic
effects or pupillary constriction. In the absence of narcotics or agonistic effects
of other narcotic antagonists, it exhibits essentially no pharmacologic activity.
Mechanism_of_action:While the mechanism of action of naloxone is not fully understood, the preponderance
of evidence suggests that naloxone antagonizes the opioid effects by competing for
the same receptor sites, especially the opioid mu receptor. Recently, naloxone has
been shown to bind all three opioid receptors (mu, kappa and gamma) but the
strongest binding is to the mu receptor.
Organisms_affected:Humans and other mammals

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 12968.0000±0
Normalized OD Score: sc h 0.7080±0
Z-Score: -8.1231±0
p-Value: 4.54328e-16
Z-Factor: 0.0201009
Fitness Defect: 35.3277
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|D2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18614.5±2372.77494
Plate DMSO Control (-):18453±1651.99066
Plate Z-Factor:-21.7740
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DBLink | Rows returned: 182 3 Next >> 
4425
186822
3250242
5149339
5284596
5390107

internal high similarity DBLink | Rows returned: 0

active | Cluster 991 | Additional Members: 12 | Rows returned: 1
Prest344 0.4125

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