EDETIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9G34HU7RV0

Structure
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Smile O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2O8
Molecular Weight 292.24
AlogP -2.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 155.68
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 27900 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 74000 - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 14000 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - - 70
Enzyme
- 14000 - - 100
Membrane receptor
- 7700-28400 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82

Cross References

Resources Reference
ChEBI 42191
ChEMBL CHEMBL858
DrugBank DB00974
DrugCentral 987
EPA CompTox DTXSID6022977
FDA SRS 9G34HU7RV0
Human Metabolome Database HMDB0015109
KEGG C00284
PDB EDT
PharmGKB PA449439
PubChem 6049
SureChEMBL SCHEMBL1373
ZINC ZINC000019364242
CONTENTS