ceftizoxime alapivoxil   Click here for help

GtoPdb Ligand ID: 10786

Synonyms: AS-924 | AS924 | KY-020 | KY020
Compound class: Synthetic organic
Comment: Ceftizoxime alapivoxil is a third-generation cephalosporin antibacterial ester prodrug [1-2].
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 245.15
Molecular weight 568.14
XLogP 0.63
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

✖
Canonical SMILES CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C
Isomeric SMILES CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C
InChI InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/b27-13-/t10-,14+,18+/m0/s1
InChI Key VOPANQNVVCPHQR-IVVGYLHBSA-N

For advanced searching click here to open chemical structure editor

Similar Ligands Click here for help
cephradine
Click here for ligand page
Targets
Multidrug and toxin extrusion
cefadroxil
Click here for ligand page
Targets
Peptide transporter 1; Peptide transporter 2; Peptide transporter 3
cephalexin
Click here for ligand page
Targets
Multidrug and toxin extrusion; Peptide transporter 1
ceftriaxone
Click here for ligand page
cefalotin
Click here for ligand page
Targets
Organic anion transporter 3; Organic anion transporter 4
ceftazidime
Click here for ligand page
cefazaflur
Click here for ligand page
cefclidin
Click here for ligand page
cefepime
Click here for ligand page
cefluprenam
Click here for ligand page
cefmatilen
Click here for ligand page
cefpimizole
Click here for ligand page
cefpodoxime
Click here for ligand page
cefsulodin
Click here for ligand page
ceftiolene
Click here for ligand page
ceftizoxime
Click here for ligand page
ceftobiprole
Click here for ligand page
ceftolozane
Click here for ligand page
cefotaxime
Click here for ligand page
cefaclor
Click here for ligand page
cefixime
Click here for ligand page
ceftaroline fosamil
Click here for ligand page
cefuroxime
Click here for ligand page
cefazolin
Click here for ligand page
cefotetan
Click here for ligand page
cefoxitin
Click here for ligand page
MC-02479
Click here for ligand page
ME-1228 acid
Click here for ligand page
Ro-406890
Click here for ligand page
SK&F 88070
Click here for ligand page
cefteram
Click here for ligand page
cefdinir
Click here for ligand page
cefmenoxime
Click here for ligand page
cefoperazone
Click here for ligand page
cefpiramide
Click here for ligand page
ceftibuten
Click here for ligand page
cefditoren
Click here for ligand page
latamoxef
Click here for ligand page
cefodizime
Click here for ligand page
cefpirome
Click here for ligand page
cefoselis
Click here for ligand page
cefcapene
Click here for ligand page
cefozopran
Click here for ligand page
cefaloridine
Click here for ligand page
cefapirin
Click here for ligand page
cefacetrile
Click here for ligand page
cefaloglycin
Click here for ligand page
cefazedone
Click here for ligand page
cefatrizine
Click here for ligand page
cefamandole
Click here for ligand page
cefmetazole
Click here for ligand page
cefonicid
Click here for ligand page
ceforanide
Click here for ligand page
cefprozil
Click here for ligand page
loracarbef
Click here for ligand page
flomoxef
Click here for ligand page
cefbuperazone
Click here for ligand page
cefotiam
Click here for ligand page
cefminox
Click here for ligand page
ceftezole
Click here for ligand page
cefetamet
Click here for ligand page
GT-1
Click here for ligand page