KETOROLAC TROMETHAMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4EVE5946BQ
Parent Compound: KETOROLAC

Structure
InChI Key BWHLPLXXIDYSNW-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 120-60500 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 196
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 2700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Kidney Calculi 3 D007669 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Shoulder Impingement Syndrome 2 D019534 ClinicalTrials
Pulpitis 2 D011671 ClinicalTrials
Renal Colic 2 D056844 ClinicalTrials
Macular Edema 2 D008269 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials
Rhinitis, Allergic, Seasonal 1 D006255 ClinicalTrials
Cerebral Arterial Diseases 0 D002539 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
14.99
Injury, poisoning and procedural complications
9.55
Immune system disorders
9.09
Respiratory, thoracic and mediastinal disorders
8.66
Nervous system disorders
8.04
Gastrointestinal disorders
7.39
Skin and subcutaneous tissue disorders
7.22
Vascular disorders
6.2
Cardiac disorders
4.82
Musculoskeletal and connective tissue disorders
4.41
Eye disorders
3.8
Infections and infestations
2.89
Product issues
2.8
Psychiatric disorders
2.52
Investigations
2.24

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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