AMDINOCILLIN PIVOXIL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1WAM1OQ30B

Structure
InChI Key NPGNOVNWUSPMDP-UTEPHESZSA-N
Smile CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C
InChI
InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/b22-12+/t14-,15+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H33N3O5S
Molecular Weight 439.58
AlogP 2.41
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 88.51
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein 2 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 5.671
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -26.18--3.2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Tract Infections 4 D014552 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1650818
DrugBank DB01605
DrugCentral 2219
FDA SRS 1WAM1OQ30B
PubChem 115163
SureChEMBL SCHEMBL33908
ZINC ZINC000004214799
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