KETOROLAC TROMETHAMINE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4EVE5946BQ
Parent Compound: KETOROLAC

Structure

InChI Key BWHLPLXXIDYSNW-UHFFFAOYSA-N
Smiles NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
InChI
InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O6
Molecular Weight 376.41
AlogP 2.29
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 59.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 120 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 87.08-196.12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 87.08-196.12
Homo sapiens
- 120 - - -

Target Conservation

Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 6130
ChEMBL CHEMBL1201124
FDA SRS 4EVE5946BQ
Guide to Pharmacology 6661
KEGG C07062
PubChem 84003
SureChEMBL SCHEMBL5036
ZINC ZINC00011012
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