POLAPREZINC

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Synonyms
Status
Molecule Category Free-form
UNII 8HO6PVN24W
EPA CompTox DTXSID80879594

Structure

InChI Key CQOVPNPJLQNMDC-ZETCQYMHSA-N
Smiles NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N4O3
Molecular Weight 226.24
AlogP -1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 121.1
Molecular species ZWITTERION
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
- - - - 26.44-98.86
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 26.44-98.86

Cross References

Resources Reference
ChEBI 15727
ChEMBL CHEMBL242948
DrugBank DB11695
FDA SRS 8HO6PVN24W
Human Metabolome Database HMDB0000033
Guide to Pharmacology 4559
KEGG C00386
PDB 8V0
SureChEMBL SCHEMBL33769
ZINC ZINC000002040854
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