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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL893
CHEMBL893
Compound Name DICLOXACILLIN
ChEMBL Synonyms BRL-1702 | Dycill | DICLOXACILLIN SODIUM | DYCILL | Pathocil | Dynapen | R-13423 | P-1011 | PATHOCIL | DYNAPEN | Dicloxacillin
Max Phase 4 (Approved)
Trade Names DYCILL | DICLOXACILLIN SODIUM | PATHOCIL | DYNAPEN
Molecular Formula C19H17Cl2N3O5S

Additional synonyms for CHEMBL893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c( ...
Download SMILES
Standard InChI InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(1 ...
Download InChI
Standard InChI Key YFAGHNZHGGCZAX-JKIFEVAISA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL893

Molecule Features

CHEMBL893 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Penicillin-binding protein inhibitor Penicillin-binding protein PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
BacteremiaD016470EFO:0003033bacteriemia3ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis0ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov DICLOXACILLIN
The Cochrane Collaboration DICLOXACILLIN

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
470.3 469.0266 3.2 4 112.74 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 - 3.1 -.63 2 30 0.66

Structural Alerts

There are 3 structural alerts for CHEMBL893. 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
J01CF - Beta-lactamase resistant penicillins
J01CF01 - dicloxacillin

ChemSpider ChemSpider:YFAGHNZHGGCZAX-JKIFEVAISA-N
DailyMed dicloxacillin sodium
PubChem SID: 124893598
Wikipedia Dicloxacillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL893



ACToR 3116-76-5
BindingDB 50350476
Brenda 93173
ChEBI 4511
DrugBank DB00485
DrugCentral 866
EPA CompTox Dashboard DTXSID1022924
FDA SRS COF19H7WBK
Human Metabolome Database HMDB0014628
IBM Patent System 6A109A5F46A830227598324968D046E7
KEGG Ligand C06950
LINCS LSM-5234
Nikkaji J3.048A
PharmGKB PA164749649
PubChem 18381
PubChem: Thomson Pharma 14960168
SureChEMBL SCHEMBL23955
ZINC ZINC000003978006

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