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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: 1 active | as graph: single | with analogs
Species: 4932
Condition: FUR4
Replicates: 2
Raw OD Value: r im 0.3140±0.0149907
Normalized OD Score: sc h 0.7059±0.00300632
Z-Score: -7.7757±1.31015
p-Value: 0.00000000000371014
Z-Factor: 0.556323
Fitness Defect: 26.32
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.039425±0.00182
Plate DMSO Control (-):0.44525000000000003±0.01755
Plate Z-Factor:0.7935
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DBLink | Rows returned: 9<< Back 1 2
3014550 sodium 6-aminohexanoate
5460263 6-aminohexanoate
6389241 copper; 6-aminohexanoic acid; azanide; copper(+1) cation

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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