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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1449
CHEMBL1449
Compound Name TICARCILLIN
ChEMBL Synonyms BRL 2288 | TICAR | TICARCILLIN | TICARCILLIN SODIUM | TICARCILLIN MONOSODIUM | TICARCILLIN DISODIUM
Max Phase 4 (Approved)
Trade Names TICAR
Molecular Formula C15H16N2O6S2

Additional synonyms for CHEMBL1449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1 ...
Download SMILES
Standard InChI InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25 ...
Download InChI
Standard InChI Key OHKOGUYZJXTSFX-KZFFXBSXSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1449

Molecule Features

CHEMBL1449 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial penicillin-binding protein inhibitor Bacterial penicillin-binding protein PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
ClinicalTrials
InfectionD007239EFO:0000544infection2ClinicalTrials
SepsisD018805HP:0100806sepsis1ClinicalTrials
ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov TICARCILLIN
The Cochrane Collaboration TICARCILLIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
384.4 384.045 0.55 5 124.01 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 1.24 -3.51 1 25 0.5

Structural Alerts

There are 6 structural alerts for CHEMBL1449. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01C - BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01CA - Penicillins with extended spectrum
J01CA13 - ticarcillin

ChemSpider ChemSpider:OHKOGUYZJXTSFX-KZFFXBSXSA-N
DailyMed ticarcillin disodium
Wikipedia Ticarcillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1449



ACToR 34787-01-4
BindingDB 50103522
Brenda 9890 1807
ChEBI 9587
DrugBank DB01607
DrugCentral 2656
eMolecules 29537804
EPA CompTox Dashboard DTXSID0023668
FDA SRS F93UJX4SWT
Human Metabolome Database HMDB0015545
IBM Patent System 9E75595A09DC04BDCF917E73359F40DE
KEGG Ligand C07139
Nikkaji J17.850K
PharmGKB PA451684
PubChem 36921
PubChem: Thomson Pharma 14756115
SureChEMBL SCHEMBL34025
ZINC ZINC000003831540

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OHKOGUYZJXTSFX-KZFFXBSXSA-N spacer
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