AMPICILLIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01CA01 S01AA19
UNII 7C782967RD
EPA CompTox DTXSID4022602

Structure

InChI Key AVKUERGKIZMTKX-NJBDSQKTSA-N
Smiles CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O4S
Molecular Weight 349.41
AlogP 0.32
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 112.73
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 20.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- 300-900 - - 100
Edwardsiella tarda
- - - - 100
Enterococcus faecalis ATCC 29212
- - - - 66
Enterococcus faecium
630 - - - -
Escherichia coli
- 146 - - 10-78
Homo sapiens
- - - - 20.3
Moraxella catarrhalis
- - - - 100
Neisseria mucosa
- - - - 100
Pseudomonas aeruginosa
- 436 - - 10-85.2
Staphylococcus aureus
190 20-100 - - 100
Staphylococcus aureus subsp. aureus
59 - - - -
Staphylococcus epidermidis ATCC 12228
- - - - 100
Streptococcus pyogenes
- - - - 100

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
India
Vietnam

Cross References

Resources Reference
ChEBI 28971
ChEMBL CHEMBL174
DrugBank DB00415
DrugCentral 198
FDA SRS 7C782967RD
Human Metabolome Database HMDB0014559
Guide to Pharmacology 10896
KEGG C06574
PDB AIC
PharmGKB PA448419
PubChem 6249
SureChEMBL SCHEMBL3526
ZINC ZINC000003830218
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