GLAFENINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N02BG03
UNII 46HL4I09AH
EPA CompTox DTXSID1048546

Structure

InChI Key GWOFUCIGLDBNKM-UHFFFAOYSA-N
Smiles O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
InChI
InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN2O4
Molecular Weight 372.81
AlogP 3.14
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 91.68
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 21.07
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 130.73-188.49
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 130.73-188.49
Homo sapiens
- - - - 21.07
Rattus norvegicus
- - - - 36

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 31653
ChEMBL CHEMBL146095
DrugCentral 1297
FDA SRS 46HL4I09AH
PubChem 3474
SureChEMBL SCHEMBL24246
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