ACETRIZOIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V08AA07
UNII: 24256BQV7M

Structure
InChI Key GNOGSFBXBWBTIG-UHFFFAOYSA-N
Smile CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I
InChI
InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6I3NO3
Molecular Weight 556.86
AlogP 3.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 16.0

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
- - - - 133

Cross References

Resources Reference
ChEBI 34521
ChEMBL CHEMBL1201327
DrugBank DB09347
DrugCentral 63
EPA CompTox DTXSID2022549
FDA SRS 24256BQV7M
KEGG C14164
PubChem 6806
SureChEMBL SCHEMBL20608774
ZINC ZINC000003830175
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