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Compound InformationSONAR Target prediction
Name:

Glimepiride

Unique Identifier:Prest54
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H34N4O5S
Molecular Weight:456.347 g/mol
X log p:6.855  (online calculus)
Lipinksi Failures2
TPSA96.97
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:11
Canonical Smiles:CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
Generic_name:Glimepiride
Chemical_iupac_name:3-ethyl-N,N-bis(3-ethyl-4-methyl-2-oxo-5H-pyrrol-2-yl)-4-methyl-2-oxo-5H-pyrrole-1-c
arboxamide
Drug_type:Approved Drug
Pharmgkb_id:PA449761
Kegg_compound_id:C07669
Drugbank_id:APRD00381
Melting_point:207 oC
H2o_solubility:Insoluble
Logp:3.306
Cas_registry_number:93479-97-1
Drug_category:Immunosuppressive Agents; Hypoglycemic Agents; Antiarrhythmic Agents; Sulfonylureas;
ATC:A10BB12
Indication:For concomitant use with insulin for the treatment of noninsulin-dependent (Type II)
diabetes mellitus; For the treatment ofhyperglycemia that cannot be controlled by
diet and exercise in conjunction with an oral hypoglycemic agent
Pharmacology:Glimepiride, like glyburide and glipizide, is a "second-generation" sulfonylurea
agents. Glimepiride is used with diet to lower blood glucose by increasing the
secretion of insulin from pancreas and increasing the sensitivity of peripheral
tissues to insulin.
Mechanism_of_action:The mechanism of action of glimepiride in lowering blood glucose appears to be
dependent on stimulating the release of insulin from functioning pancreatic beta
cells, and increasing sensitivity of peripheral tissues to insulin. Glimepiride
likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell
surface, reducing potassium conductance and causing depolarization of the membrane.
Membrane depolarization stimulates calcium ion influx through voltage-sensitive
calcium channels. This increase in intracellular calcium ion concentration induces
the secretion of insulin.
Organisms_affected:Humans and other mammals

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1934.0000±0
Normalized OD Score: sc h 0.9711±0
Z-Score: -0.6524±0
p-Value: 0.514116
Z-Factor: -12.8882
Fitness Defect: 0.6653
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|B2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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DBLink | Rows returned: 1
3476 3-ethyl-4-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carbox
amide

internal high similarity DBLink | Rows returned: 0

active | Cluster 5012 | Additional Members: 11 | Rows returned: 1
Prest1231 0.48936170212766

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