ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL37858
CHEMBL37858
Compound Name SARAFLOXACIN
ChEMBL Synonyms SARAFLOX WSP | SARAFLOXACIN HYDROCHLORIDE | SARAFLOX INJECTABLE | SARAFLOXACIN | ABBOTT-57135 [SARAFLOXACIN] | ABBOTT-56620
Max Phase 0
Trade Names
Molecular Formula C20H17F2N3O3

Additional synonyms for CHEMBL37858 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O
Standard InChI InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28 ...
Download InChI
Standard InChI Key XBHBWNFJWIASRO-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL37858

Molecule Features

CHEMBL37858 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SARAFLOXACIN
The Cochrane Collaboration SARAFLOXACIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL37858. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL2276 c-Jun N-terminal kinase 1 Homo sapiens 0.997
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.756
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.224
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.221

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2276 c-Jun N-terminal kinase 1 Homo sapiens 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 0.999
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.954
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.869
CHEMBL4088 Topoisomerase IV subunit A Staphylococcus aureus 0.779
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.238
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.213

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
385.4 385.1238 2.38 3 74.57 ZWITTERION


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
6.17 8.68 .67 -1.37 3 28 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL37858. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XBHBWNFJWIASRO-UHFFFAOYSA-N
PubChem SID: 174006988
Wikipedia Sarafloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL37858



ACToR 98105-99-8
ChEBI 94493
ChemicalBook CB6334556
DrugBank DB11491
eMolecules 498622
EPA CompTox Dashboard DTXSID8048494
FDA SRS RC3WJ907XY
Human Metabolome Database HMDB0039526
IBM Patent System 304E3DA5C6CABF022BEA910F509F6DCF
LINCS LSM-5263
Mcule MCULE-8937074288
MolPort MolPort-003-850-226
Nikkaji J134.054I
PubChem 25273230 56208
PubChem: Thomson Pharma 14853815
SureChEMBL SCHEMBL311593
ZINC ZINC000000538330

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