PIPERACILLIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01CA12
UNII 9I628532GX
EPA CompTox DTXSID2023482

Structure

InChI Key IVBHGBMCVLDMKU-GXNBUGAJSA-N
Smiles CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O
InChI
InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N5O7S
Molecular Weight 517.56
AlogP -0.24
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 156.43
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 200 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aeromonas enteropelogenes
- - - 200 -
Citrobacter freundii
- - - 200 -

Related Entries

Cross References

Resources Reference
ChEBI 8232
ChEMBL CHEMBL702
DrugBank DB00319
DrugCentral 2187
FDA SRS 9I628532GX
Human Metabolome Database HMDB0014464
Guide to Pharmacology 10921
KEGG C14034
PDB WPP
PharmGKB PA450975
PubChem 73246
SureChEMBL SCHEMBL33894
ZINC ZINC000003913937
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