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Compound InformationSONAR Target prediction
Name:

AMINOCAPROIC ACID

Unique Identifier:SPE01500114
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:hemostatic
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: 204 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7397±0.00410122
Normalized OD Score: sc h 1.0012±0.00130884
Z-Score: 0.0654±0.0706769
p-Value: 0.947946
Z-Factor: -31.1439
Fitness Defect: 0.0535
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.03925±0.00089
Plate DMSO Control (-):0.7198±0.01536
Plate Z-Factor:0.9260
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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: 2
SPE01502026 0.9615
LOPAC 00685 1.0000

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

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