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Compound InformationSONAR Target prediction
Name:

TOLBUTAMIDE

Unique Identifier:SPE01500581
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:252.206 g/mol
X log p:7.399  (online calculus)
Lipinksi Failures1
TPSA59.59
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:7
Canonical Smiles:CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Source:synthetic
Therapeutics:antidiabetic
Generic_name:Tolbutamide
Chemical_iupac_name:3-butyl-1-(4-methylphenyl)sulfonyl-urea
Drug_type:Approved Drug
Pharmgkb_id:PA451718
Kegg_compound_id:C07148
Drugbank_id:APRD00267
Melting_point:128.5 oC
H2o_solubility:109 mg/L
Logp:2.765
Isoelectric_point:5.16
Cas_registry_number:64-77-7
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C64777&Index=0&Type=Mass&Large=on
Drug_category:Hypoglycemic Agents; Sulfonylureas; ATC:A10BB03; ATC:V04CA01
Indication:Used as an oral hypoglycemic agent in non-insulin-dependent (type 2) Diabetes
Miletus with adult onset.
Pharmacology:Tolbutamide, a second-generation sulfonylurea antidiabetic agent, is used with diet
to lower blood glucose levels in patients with diabetes mellitus type II.
Tolbutamide is twice as potent as the related second-generation agent glipizide.
Tolbutamide lowers blood sugar by stimulating the pancreas to secrete insulin and
helping the body use insulin efficiently. The pancreas must be able to produce
insulin for this drug to work.
Mechanism_of_action:Sulfonylureas lower blood glucose in patients with type 2 diabetes by directly
stimulating the acute release of insulin from functioning beta cells of pancreatic
islet tissue by an unknown process that involves a sulfonylurea receptor (receptor
1) on the beta cell. Sulfonylureas inhibit the ATP-potassium channels on the beta
cell membrane and potassium efflux, which results in depolarization and calcium
influx, calcium-calmodulin binding, kinase activation, and release of
insulin-containing granules by exocytosis, an effect similar to that of glucose.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [205]
Species: 4932
Condition: SNC1
Replicates: 2
Raw OD Value: r im 0.7423±0.00756604
Normalized OD Score: sc h 1.0202±0.0178851
Z-Score: 1.1229±0.983082
p-Value: 0.368932
Z-Factor: -4.9214
Fitness Defect: 0.9971
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-04-24 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00054
Plate DMSO Control (-):0.7085250000000001±0.01843
Plate Z-Factor:0.9224
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DBLink | Rows returned: 3
5505 3-butyl-1-(4-methylphenyl)sulfonyl-urea
285626 3-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-urea
16051994 sodium 1-butyl-3-(4-methylphenyl)sulfonyl-urea

internal high similarity DBLink | Rows returned: 4
SEW 04451 0.9205
HTS 08346 0.9310
SEW 04450 0.9878
LOPAC 00077 1.0000

active | Cluster 17828 | Additional Members: 9 | Rows returned: 0

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