PHENETHICILLIN POTASSIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 70978WUK7C
EPA CompTox DTXSID5045546

Structure

InChI Key ORMNNUPLFAPCFD-DVLYDCSHSA-M
Smiles CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].[K+]
InChI
InChI=1S/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1/t9?,11-,12+,15-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19KN2O5S
Molecular Weight 402.51
AlogP 1.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

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
- - - - 83.14-90.72
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 83.14-90.72

Cross References

Resources Reference
ChEBI 31987
ChEMBL CHEMBL2364720
FDA SRS 70978WUK7C
PubChem 23675317
SureChEMBL SCHEMBL34264
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