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Compound InformationSONAR Target prediction
Name:

DISULFIRAM

Unique Identifier:SPE01500262
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:276.384 g/mol
X log p:1.676  (online calculus)
Lipinksi Failures0
TPSA121.26
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:9
Canonical Smiles:CCN(CC)C(=S)SSC(=S)N(CC)CC
Source:synthetic
Therapeutics:alcohol antagonist
Generic_name:Disulfiram
Chemical_iupac_name:1-(diethylthiocarbamoyldisulfanyl)-N,N-diethyl-methanethioamide
Drug_type:Approved Drug
Pharmgkb_id:PA449376
Kegg_compound_id:C01692
Drugbank_id:APRD00767
Melting_point:71.5 oC
H2o_solubility:4.09 mg/L
Logp:4.422
Cas_registry_number:97-77-8
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C97778&Index=0&Type=Mass&Large=on
Drug_category:Alcohol Deterrents; Enzyme Inhibitors; ATC:N07BB01; ATC:P03AA04
Indication:For the treatment and management of chronic alcoholism
Pharmacology:Disulfiram produces a sensitivity to alcohol which results in a highly unpleasant
reaction when the patient under treatment ingests even small amounts of alcohol.
Disulfiram blocks the oxidation of alcohol at the acetaldehyde stage during alcohol
metabolism following disulfiram intake, the concentration of acetaldehyde occurring
in the blood may be 5 to 10 times higher than that found during metabolism of the
same amount of alcohol alone. Accumulation of acetaldehyde in the blood produces a
complex of highly unpleasant symptoms referred to hereinafter as the
disulfiram-alcohol reaction. This reaction, which is proportional to the dosage of
both disulfiram and alcohol, will persist as long as alcohol is being metabolized.
Disulfiram does not appear to influence the rate of alcohol elimination from the
body. Prolonged administration of disulfiram does not produce tolerance; the longer
a patient remains on therapy, the more exquisitely sensitive he becomes to alcohol.
Mechanism_of_action:Disulfiram blocks the oxidation of alcohol at the acetaldehyde stage during alcohol
metabolism following disulfiram intake causing an accumulation of acetaldehyde in
the blood producing highly unpleasant symptoms. Disulfiram blocks the oxidation of
alcohol through its irreversible inactivation of aldehyde dehydrogenase, which acts
in the second step of ethanol utilization. In addition, disulfiram competitively
binds and inhibits the peripheral benzodiazepine receptor, which may indicate some
value in the treatment of the symptoms of alcohol withdrawal, however this activity
has not been extensively studied.
Organisms_affected:Humans and other mammals

Found: 203 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [203]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.1015±0.0000707107
Normalized OD Score: sc h 0.0768±0.00226957
Z-Score: -18.4076±0.369869
p-Value: 0
Z-Factor: 0.920168
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|G4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09300000000000001±0.00526
Plate DMSO Control (-):0.94575±0.01308
Plate Z-Factor:0.9370
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DBLink | Rows returned: 1
3117 1-(diethylthiocarbamoyldisulfanyl)-N,N-diethyl-methanethioamide

internal high similarity DBLink | Rows returned: 1
LOPAC 01233 1.0000

active | Cluster 12863 | Additional Members: 4 | Rows returned: 1
LOPAC 01233 0

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