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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32
CHEMBL32
Compound Name MOXIFLOXACIN
ChEMBL Synonyms AVELOX I.V. | Moxifloxacin Hydrochloride Hydrate | BAY 12-8039 | VIGAMOX | MOXIFLOXACIN HYDROCHLORIDE | BAY-12-8039 | Vigamox | MOXEZA | AVELOX | MOXIFLOXACIN
Max Phase 4 (Approved)
Trade Names AVELOX | AVELOX I.V. | MOXEZA | MOXIFLOXACIN HYDROCHLORIDE | VIGAMOX
Molecular Formula C21H24FN3O4

Additional synonyms for CHEMBL32 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C( ...
Download SMILES
Standard InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(1 ...
Download InChI
Standard InChI Key FABPRXSRWADJSP-MEDUHNTESA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • 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


CHEMBL32

Molecule Features

CHEMBL32 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial DNA gyrase inhibitor Bacterial DNA gyrase DailyMed
Topoisomerase IV inhibitor Topoisomerase IV DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Bronchitis, ChronicD029481EFO:0006505chronic bronchitis3ClinicalTrials
ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus1ClinicalTrials
InflammationD007249MP:0001845inflammation3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
Restless Legs SyndromeD012148EFO:0004270restless legs syndrome1ClinicalTrials
Tuberculosis, Multidrug-ResistantD018088EFO:0007381multidrug-resistant tuberculosis2ClinicalTrials
ConstipationD003248HP:0002019constipation1ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy1ClinicalTrials
Erectile DysfunctionD007172EFO:0004234erectile dysfunction1ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis1ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma1ClinicalTrials
CataractD002386EFO:0001059cataract3ClinicalTrials
ClinicalTrials
CellulitisD002481EFO:0003035cellulitis3ClinicalTrials
Communicable DiseasesD003141EFO:0005741infectious disease3ClinicalTrials
ClinicalTrials
Conjunctivitis, BacterialD003234EFO:1000829bacterial conjunctivitis4ClinicalTrials
ClinicalTrials
DailyMed
DailyMed
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
Pelvic Inflammatory DiseaseD000292EFO:1001388Pelvic Inflammatory Disease3ClinicalTrials
ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis3ClinicalTrials
Cystic FibrosisD003550Orphanet:586Cystic fibrosis1ClinicalTrials
Acne VulgarisD000152EFO:0003894acne1ClinicalTrials
AsthmaD001249EFO:0000270asthma1ClinicalTrials
Eye InfectionsD015817EFO:1001888eye infection3ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection1ClinicalTrials
Influenza, HumanD007251EFO:0001669influenza infection1ClinicalTrials
Lipid Metabolism DisordersD052439Orphanet:309005Disorder of lipid metabolism1ClinicalTrials
NauseaD009325EFO:0006911Chemotherapy-induced nausea and vomiting1ClinicalTrials
PneumoniaD011014EFO:0003106pneumonia3ClinicalTrials
ClinicalTrials
Pneumonia, BacterialD018410EFO:1001272bacterial pneumonia3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia1ClinicalTrials
Acute Coronary SyndromeD054058EFO:0005672acute coronary syndrome1ClinicalTrials
CholangitisD002761HP:0030151Cholangitis2ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia1ClinicalTrials
LymphomaD008223EFO:0000574lymphoma1ClinicalTrials
Malaria, FalciparumD016778EFO:0007444Plasmodium falciparum malaria1ClinicalTrials
PainD010146EFO:0003843pain1ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
Tuberculosis, PulmonaryD014397EFO:1000049pulmonary tuberculosis3ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease1ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma1ClinicalTrials
Cholecystitis, AcuteD041881EFO:1001289Cholecystitis, Acute3ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus1ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder1ClinicalTrials
Otitis MediaD010033EFO:0004992Otitis media3ClinicalTrials
Premature BirthD047928EFO:0003917premature birth1ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder1ClinicalTrials
AbscessD000038EFO:0003030abscess3ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis1ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
Lung DiseasesD008171EFO:0003818lung disease1ClinicalTrials
PhenylketonuriasD010661Orphanet:716Phenylketonuria1ClinicalTrials
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials
Acquired Immunodeficiency SyndromeD000163EFO:0000765AIDS1ClinicalTrials
AnemiaD000740EFO:0004272anemia1ClinicalTrials
Coronary DiseaseD003327EFO:0001645coronary heart disease1ClinicalTrials
Malaria, VivaxD016780EFO:0007445Plasmodium vivax malaria1ClinicalTrials
MeningitisD008581EFO:0000584infectious meningitis2ClinicalTrials
Muscle SpasticityD0091282ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis2ClinicalTrials
ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov MOXIFLOXACIN
The Cochrane Collaboration MOXIFLOXACIN

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 CHEMBL32. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4088 Topoisomerase IV subunit A Staphylococcus aureus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
401.4 401.1751 2.37 4 83.8 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.43 10.63 2.83 .31 2 29 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL32. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AE - Fluoroquinolones
S01AE07 - moxifloxacin

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01M - QUINOLONE ANTIBACTERIALS
J01MA - Fluoroquinolones
J01MA14 - moxifloxacin

ChemSpider ChemSpider:FABPRXSRWADJSP-MEDUHNTESA-N
DailyMed moxifloxacin hydrochloride
Wikipedia Moxifloxacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32



ACToR 151096-09-2
BindingDB 50366824
Brenda 13727
ChEBI 63611
DrugBank DB00218
DrugCentral 1854
eMolecules 6843461
EPA CompTox Dashboard DTXSID3048491
FDA SRS U188XYD42P
Human Metabolome Database HMDB0014363
IBM Patent System F17E4769DAF96F93F9A3AC8D41A49B67
LINCS LSM-5746
MolPort MolPort-006-167-494
Nikkaji J1.495.215B
PDBe MFX
PharmGKB PA450555
PubChem 152946 40467042
PubChem: Thomson Pharma 14781355 14757114
SureChEMBL SCHEMBL24007
ZINC ZINC000003826253

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