HETACILLIN POTASSIUM

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 95PFX5932Y
Parent Compound: HETACILLIN

Structure
InChI Key QRSPJBLLJXVPDD-XFAPPKAWSA-M
Smile CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+]
InChI
InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22KN3O4S
Molecular Weight 427.57
AlogP 1.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.95
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Penicillin-binding protein inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
6300 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 34789
ChEMBL CHEMBL1201121
FDA SRS 95PFX5932Y
KEGG C13980
PubChem 23678597
SureChEMBL SCHEMBL192601
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