Responsive image

Common name


Indomethacin

IUPAC name


2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid

SMILES


COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O

Compound class


Gout Suppressants; Anti-Inflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Cardiovascular Agents; Tocolytic Agents; Ophthalmologicals; Sensory Organs; Musculo-Skeletal System; Cardiovascular System; Cardiac Therapy; Acetic Acid Derivatives and Related Substances; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers;

Therapeutic area


For moderate to severe rheumatoid arthritis including acute flares of chronic disease, ankylosing spondylitis, osteoarthritis, acute painful shoulder (bursitis and/or tendinitis) and acute gouty arthritis.

Common name


Indomethacin

IUPAC name


2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid

SMILES


COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O

INCHI


InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)

FORMULA


C19H16ClNO4

Responsive image

Common name


Indomethacin

IUPAC name


2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid

Molecular weight


357.788

clogP


3.908

clogS


-4.729

HBond Acceptor


4

HBond Donor


1

Total Polar
Surface Area


68.53

Number of Rings


3

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00004 acetic acid Responsive image CC(=O)O 0.0687
FDBF00016 chlorobenzene Responsive image c1ccc(cc1)Cl 0.0718
FDBF00724 5-methoxy-2-methyl-indole-1-carbaldehyde Responsive image O(C)c1cc2c(n(c(c2)C)C=O)cc1 0.0003
FDBF00725 2-(1-formyl-2-methyl-indol-3-yl)acetic acid Responsive image C(C(=O)O)c1c2c(n(c1C)C=O)cccc2 0.0003
FDBF00728 2-methylindole-1-carbaldehyde Responsive image O=Cn1c2c(cc1C)cccc2 0.0003
7 , 1