AMINOHIPPURIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V04CH30
UNII: Y79XT83BJ9

Structure
InChI Key HSMNQINEKMPTIC-UHFFFAOYSA-N
Smile Nc1ccc(C(=O)NCC(=O)O)cc1
InChI
InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2O3
Molecular Weight 194.19
AlogP 0.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 92.42
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 22
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 24-95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 9333-9400 -

Cross References

Resources Reference
ChEBI 104011
ChEMBL CHEMBL463
DrugBank DB00345
DrugCentral 165
EPA CompTox DTXSID7022590
FDA SRS Y79XT83BJ9
Human Metabolome Database HMDB0001867
Guide to Pharmacology 4810
PharmGKB PA134711723
PubChem 2148
SureChEMBL SCHEMBL196513
ZINC ZINC000000119344
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