KETOROLAC

Search structure
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Parent
ATC: M01AB15
UNII: YZI5105V0L

Structure
InChI Key OZWKMVRBQXNZKK-UHFFFAOYSA-N
Smile O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
InChI
InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13NO3
Molecular Weight 255.27
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

Primary Target
COX-1
COX-2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- - - 11600 -
Enzyme Hydrolase
- 2000 - - -
Enzyme Isomerase
- 230 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- 36000 - - -
Enzyme Oxidoreductase
- 140 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Cataract 3 D002386 ClinicalTrials
Migraine Disorders 3 D008881 ClinicalTrials
Headache 3 D006261 ClinicalTrials
Inflammation 3 D007249 ClinicalTrials
Wounds and Injuries 3 D014947 ClinicalTrials
Kidney Calculi 3 D007669 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Abdominal Pain 3 D015746 ClinicalTrials
Deglutition Disorders 3 D003680 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials
Scoliosis 2 D012600 ClinicalTrials
Conjunctivitis, Viral 2 D003236 ClinicalTrials
Pancreatitis 2 D010195 ClinicalTrials
Miosis 2 D015877 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials
Retinopathy of Prematurity 2 D012178 ClinicalTrials
Tonsillitis 2 D014069 ClinicalTrials
Periodontitis 2 D010518 ClinicalTrials
Rotator Cuff Injuries 2 D000070636 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Hypoxia 1 D000860 ClinicalTrials
Diabetic Retinopathy 1 D003930 ClinicalTrials
Ovarian Neoplasms 0 D010051 ClinicalTrials
Renal Colic 0 D056844 ClinicalTrials
Peritoneal Neoplasms 0 D010534 ClinicalTrials
Fallopian Tube Neoplasms 0 D005185 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 74103-06-3
ChEBI 76223
ChEMBL CHEMBL469
DrugBank DB00465
DrugCentral 1529
EPA CompTox DTXSID8023189
FDA SRS YZI5105V0L
Human Metabolome Database HMDB0014608
Guide to Pharmacology 6661
KEGG C07062
PharmGKB PA450150
PubChem 3826
SureChEMBL SCHEMBL14891
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