PIVAMPICILLIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01CA02
UNII: 0HLM346LL7

Structure
InChI Key ZEMIJUDPLILVNQ-JTOWHCCKSA-N
Smile CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@@H](N)c3ccccc3)[C@H]2SC1(C)C
InChI
InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14+,15-,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29N3O6S
Molecular Weight 463.56
AlogP 1.32
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 128.03
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.5168
Enzyme Transferase
- - - - 1.018
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -44.65--4.45

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8255
ChEMBL CHEMBL3182343
DrugBank DB01604
DrugCentral 2218
EPA CompTox DTXSID1045459
FDA SRS 0HLM346LL7
Human Metabolome Database HMDB0015542
KEGG C11750
PharmGKB PA164776912
PubChem 33478
SureChEMBL SCHEMBL34182
ZINC ZINC000034967244
CONTENTS