Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

NALOXONE HYDROCHLORIDE

Unique Identifier:SPE01500422
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Class:alkaloid
Source:synthetic
Reference:Brain Res 839:209 (1999); Brit J Pharmacol 127:605 (1999)
Therapeutics:narcotic antagonist
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: 205 nonactive as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.6691±0.030547
Normalized OD Score: sc h 0.9793±0.00630086
Z-Score: -0.8969±0.26817
p-Value: 0.378344
Z-Factor: -2.24973
Fitness Defect: 0.972
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.041975±0.00098
Plate DMSO Control (-):0.6722999999999999±0.01101
Plate Z-Factor:0.9320
png
ps
pdf

DBLink | Rows returned: 182 3 Next >> 
4425
186822
3250242
5149339
5284596
5390107

internal high similarity DBLink | Rows returned: 4
LOPAC 00472 0.9234
LOPAC 00457 0.9461
SPE01503262 0.9461
LOPAC 00456 1.0000

active | Cluster 991 | Additional Members: 12 | Rows returned: 2
Prest344 0.4125
Prest879 0.188405797101449

Service provided by the Mike Tyers Laboratory