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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL363449
CHEMBL363449
Compound Name NADIFLOXACIN
ChEMBL Synonyms OPC-7251 | NADIFLOXACIN
Max Phase 3
Trade Names
Molecular Formula C19H21FN2O4

Additional synonyms for CHEMBL363449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
Standard InChI InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9- ...
Download InChI
Standard InChI Key JYJTVFIEFKZWCJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL363449

Molecule Features

CHEMBL363449 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Acne VulgarisD000152EFO:0003894acne3ClinicalTrials

Clinical Data

ClinicalTrials.gov NADIFLOXACIN
The Cochrane Collaboration NADIFLOXACIN

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
360.4 360.1485 2.31 2 82.77 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.55 1.27 2.49 .71 2 26 0.86

Structural Alerts

There are 2 structural alerts for CHEMBL363449. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AF - Antiinfectives for treatment of acne
D10AF05 - nadifloxacin

ChemSpider ChemSpider:JYJTVFIEFKZWCJ-UHFFFAOYSA-N
PubChem SID: 144205792 SID: 170465882 SID: 26758042 SID: 56463184

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL363449



ACToR 124858-35-1
ChEBI 31889
ChemicalBook CB3301560
DrugBank DB12447
DrugCentral 1864
eMolecules 902161
EPA CompTox Dashboard DTXSID5046483
IBM Patent System CAF9A5DFAAE2444D7512B89FF5A959C8
LINCS LSM-5007
MolPort MolPort-003-849-299
Nikkaji J355.028A
PubChem 4410
PubChem: Drugs of the Future 12013557
PubChem: Thomson Pharma 14852473
Selleck nadifloxacin
SureChEMBL SCHEMBL36593

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