IOPANOIC ACID

Search structure
Trade Names:
Synonyms:
Status: Approved (1951)
Entry Type: Small molecule
Molecule Category: Parent
ATC: V08AC06
UNII: FE9794P71J

Structure
InChI Key OIRFJRBSRORBCM-UHFFFAOYSA-N
Smile CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
InChI
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12I3NO2
Molecular Weight 570.93
AlogP 3.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 63.32
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
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Cross References

Resources Reference
CAS NUMBER 96-83-3
ChEBI 5951
ChEMBL CHEMBL867
DrugBank DB08946
DrugCentral 1465
EPA CompTox DTXSID6023159
FDA SRS FE9794P71J
KEGG C08217
PubChem 3735
SureChEMBL SCHEMBL38976
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