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Compound InformationSONAR Target prediction
Name:

Aminocaproic acid

Unique Identifier:Prest1193
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6H13NO2
Molecular Weight:118.07 g/mol
X log p:-1.394  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:NCCCCCC(O)=O
Generic_name:Aminocaproic Acid
Chemical_iupac_name:6-aminohexanoic acid
Drug_type:Approved Drug
Pharmgkb_id:PA448374
Kegg_compound_id:C02378
Drugbank_id:APRD00791
Melting_point:205 oC
H2o_solubility:5.05E+005 mg/L
Logp:0.306
Isoelectric_point:4.43
Cas_registry_number:60-32-2
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C60322&Index=0&Type=Mass&Large=on
Drug_category:Antifibrinolytic Agents; ATC:B02AA01
Indication:For use in the treatment of excessive postoperative bleeding.
Pharmacology:Aminocaproic acid works as an antifibrinolytic. It is a derivative of the amino acid
lysine. The fibrinolysis-inhibitory effects of aminocaproic acid appear to be
exerted principally via inhibition of plasminogen activators and to a lesser degree
through antiplasmin activity.
Mechanism_of_action:Aminocaproic acid binds reversibly to the kringle domain of plasminogen and blocks
the binding of plasminogen to fibrin and its activation to plasmin.
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 660.0000±0
Normalized OD Score: sc h 1.0503±0
Z-Score: 1.1327±0
p-Value: 0.257326
Z-Factor: -24.005
Fitness Defect: 1.3574
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|H11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):758.5±653.58671
Plate DMSO Control (-):822.5±277.54018
Plate Z-Factor:-66.6597
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DBLink | Rows returned: 92 Next >> 
564 6-aminohexanoic acid
27358 6-azaniumylhexylazanium; hexanedioate
110277 6-aminohexanoic acid; propan-2-ol; titanium
197024 hexane-1,6-diamine; hexanedioic acid
446118 5-carboxypentylazanium
517030 6-azaniumylhexanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 13075 | Additional Members: 7 | Rows returned: 1
SPE01500114 0

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