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Compound InformationSONAR Target prediction
Name:

TRANEXAMIC ACID

Unique Identifier:SPE01502026
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:142.091 g/mol
X log p:-1.294  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:NCC1CCC(CC1)C(O)=O
Source:synthetic
Therapeutics:hemostatic
Generic_name:Tranexamic Acid
Chemical_iupac_name:4-(aminomethyl)cyclohexane-1-carboxylic acid
Drug_type:Approved Drug
Pharmgkb_id:PA451738
Kegg_compound_id:D01136
Drugbank_id:APRD01270
Melting_point:>300 oC
H2o_solubility:1.67E+005 mg/L
Logp:0.66
Cas_registry_number:1197-18-8
Drug_category:Antifibrinolytic Agents; ATC:B02AA02
Indication:For use in patients with hemophilia for short term use (two to eight days) to reduce
or prevent hemorrhage and reduce the need for replacement therapy during and
following tooth extraction.
Pharmacology:Tranexamic acid is an antifibrinolytic that competitively inhibits the activation of
plasminogen to plasmin. Tranexamic acid is a competitive inhibitor of plasminogen
activation, and at much higher concentrations, a noncompetitive inhibitor of
plasmin, i.e., actions similar to aminocaproic acid. Tranexamic acid is about 10
times more potent in vitro than aminocaproic acid. Tranexamic acid binds more
strongly than aminocaproic acid to both the strong and weak receptor sites of the
plasminogen molecule in a ratio corresponding to the difference in potency between
the compounds. Tranexamic acid in a concentration of 1 mg per mL does not aggregate
platelets in vitro. In patients with hereditary angioedema, inhibition of the
formation and activity of plasmin by tranexamic acid may prevent attacks of
angioedema by decreasing plasmin-induced activation of the first complement protein
(C1).
Mechanism_of_action:Tranexamic acid competitively inhibits activation of plasminogen (via binding to the
kringle domain), thereby reducing conversion of plasminogen to plasmin
(fibrinolysin), an enzyme that degrades fibrin clots, fibrinogen, and other plasma
proteins, including the procoagulant factors V and VIII. Tranexamic acid also
directly inhibits plasmin activity, but higher doses are required than are needed to
reduce plasmin formation.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7312±0.00325269
Normalized OD Score: sc h 0.9891±0.00578575
Z-Score: -0.5800±0.320279
p-Value: 0.571846
Z-Factor: -9.25567
Fitness Defect: 0.5589
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00073
Plate DMSO Control (-):0.7159±0.01647
Plate Z-Factor:0.9139
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DBLink | Rows returned: 952 3 4 5 6 7 8 9 10  Next >> 
5526 4-(aminomethyl)cyclohexane-1-carboxylic acid
13580 7-aminoheptanoic acid
17083 11-aminoundecanoic acid
66085 8-aminooctanoic acid
69661 12-aminododecanoic acid
83150 10-aminodecanoic acid

internal high similarity DBLink | Rows returned: 72 Next >> 
JFD 01160 0.9286
LOPAC 00333 0.9286
LOPAC 00590 0.9286
RJC 00670 0.9286
SB 02002 0.9286
LOPAC 00685 0.9615

active | Cluster 4207 | Additional Members: 3 | Rows returned: 0

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