GLAFENINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N02BG03
UNII: 46HL4I09AH

Structure
InChI Key GWOFUCIGLDBNKM-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 21
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 131
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 22300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31653
ChEMBL CHEMBL146095
DrugCentral 1297
EPA CompTox DTXSID1048546
FDA SRS 46HL4I09AH
PubChem 3474
SureChEMBL SCHEMBL24246
CONTENTS