UCSF

ZINC00538273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 Yes

Popular Name: Levofloxacin Levofloxacin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100986-54-4 , 100986-85-4 , 118120-51-7 , 138199-71-0 , 1400645-02-4 , 177325-13-2 , 226578-51-4 , 82419-36-1 , 83380-47-6 , [100986-85-4] , [118120-51-7] , [138199-71-0] , [177325-13-2] , [226578-51-4] , [82419-36-1]

Other Names:

( -)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazin-6-carbonsaeure; (+-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Flu

(−

(-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid

(-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, hemihydrate; (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxyli

(-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyridol[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid h

(-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyridol[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihydrate

(-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7Hpyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihydrate

(-)-Ofloxacin

(3S)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrate

(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(R)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid

(R)-isomer

(S)-(-)-Ofloxacin

(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid

(S)-Ofloxacin

(_)-Ofloxacin

)-Ofloxacin

9-Fluoro-2,3-dihydro-3-methyl-10- -7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacidmonohydrochloride

oxacin

100986-85-4

100986-85-4; C07660; Levofloxacin; Ofloxacin S-(-)-form

100986-86-5

118120-51-7; D08291; Ofloxacin hydrochloride; Tarivid (TN)

138199-71-0; D00588; Iquix (TN); LVFX; Levaquin (TN); Levofloxacin (USAN); Levofloxacin hydrate (JP16); Quixin (TN)

28266_FLUKA

28266_SIGMA

674

7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (S)-

7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hemihydrate, (S)-

7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (3S)-

8-Fluoro-3-methyl-9-(4-methyl-piperazin-1-yl)-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid

9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrochloride (1:1)

9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

AC-7593

AC1L3YF8

Aeroquin

Ambap100986-85-4

BAN

BRD-K09471561-001-06-7

BSPBio_002689

C07660

C18H20FN3O4

C18H20FN3O4.H2O

CCRIS 4073

CCRIS 4074

CHEBI:100146

CHEBI:6440

CHEMBL33

CID149096

CPD000058192; OFLOXACIN; SAM002264629

CPD000466387

CPD000466387; LEVOFLOXACIN

Cravit

Cravit (TN)

Cravit IV

Cravit Ophthalmic

d-Levofloxacin

D08120

DAP000160

DB01137

DE-108

DL-8280

DL-8280, HOE-280, Exocin, Flobacin, Floxin, Floxil, Monoflocet

DL-8280; HOE-280

DR 3354

DR-3355

DR-3355: L-isomer of ofloxacin

DR-3355; RWJ-25213

DR3355

Elequine

Exocin

Exocine

FDA

Flobacin

Floxacin

Floxel

floxin

Floxin otic

Floxin;Levofloxacin;Levofloxacin hydrate;Ofloxacin;Quixin

HMS1922J07

HMS2051G04

HMS2090O10

HMS2093E18

Hoe-280

HR 355

HR-355

INN

Iquix

JAN

KBio2_002199

KBio2_004767

KBio2_007335

KBio3_001909

KBioGR_001605

KBioSS_002199

L-Ofloxacin

L0193

Leroxacin

Lesacin

Levaquin

LEVAQUIN IN DEXTROSE 5% IN PLASTIC CONTAINER

Levofloxacin (BAN

Levofloxacin (FDA

Levofloxacin (INN)

LEVOFLOXACIN HCL

Levofloxacin hemihydrate

Levofloxacin hemihydrate, 98.5%+

Levofloxacin hemihydrate, Antibiotic for Culture Media Use Only

Levofloxacin hydrochloride

Levofloxacin mesylate

Levofloxacin tablet, suspension or intravenous

Levofloxacin [USAN:INN:JAN]

Levofloxacin, Antibiotic for Culture Media Use Only

Levofloxacine

Levofloxacine [INN-French]

LevofloxacinHemihydrate

Levofloxacinhydrochloride

Levofloxacino

Levofloxacino [INN-Spanish]

Levofloxacinum

Levofloxacinum [INN-Latin]

Levokacin

Levox

Levoxacin

LFX

LS-133260

LS-171761

LVX

Mefoxacin

MFCD00226105

MFCD00865049

MFCD03265511

MFCD06410951

MFCD07772024

MFCD10566448

MLS000759524

MLS001165709

MLS001423977

MolPort-002-885-835

Mosardal

MP-376

N/A

NCGC00178529-01

Nofaxin

Ocuflox

Oflocet

Oflocin

Ofloxacin

Ofloxacin (BAN

Ofloxacin (FDA

Ofloxacin (Floxin)

Ofloxacin HCl

Ofloxacin hydrochloride

Ofloxacin hydrochloride, 98.5%+

Ofloxacin hydrochloride, Antibiotic for Culture Media Use Only

Ofloxacin S-(-)-form

ofloxacin; ofloxacine; ofloxacino; ofloxacinum

OFLX; Ofloxacin

Oftaquix

Oxaldin

QA-7453

Quixin

R-Ofloxacin

Reskuin

RWJ 25213-097

RWJ-25213

S-(-)-Ofloxacin

S1940_Selleck

SAM001246758

SMR000466387

SPBio_001891

SPECTRUM1504260

Spectrum2_001676

Spectrum3_000995

Spectrum4_001123

Spectrum5_001438

Spectrum_001719

Tarivid

Tavanic

USAN

USAN)

USP)

Visiren

Volequin

WP-0405

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.26 9.75 -92.26 1 7 0 79 361.373 2 ↓
Mid Mid (pH 6-8) -3.01 7.88 -73.44 2 7 1 82 362.381 1 ↓
Mid Mid (pH 6-8) -0.26 7.41 -63.01 0 7 -1 78 360.365 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.607 Bitter DB
mechanism . ZereneX Building Blocks
ALOGPS_SOLUBILITY 1.44e+00 g/l DrugBank-approved
MP 224 TCI
Purity 97% APIChem
therap antibacterial MicroSource Spectrum
biological_use Antibacterial agent IBScreen Bioactives IBScreen Bioactives
biological_use Antibacterial agent; Antiseptic ZereneX Building Blocks
Therapy antibiotic SMDC Iconix
Therapy antimicrobial SMDC Pharmakon
biological_use Antiseptic IBScreen Bioactives
UniProt Database Links CBRA_ECOLI; MQSR_ECOLI; Y1258_MYCTU; Y2477_MYCTU ChEBI
mechanism DNA gyrase inhibitor IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : O-801 NIH Clinical Collection via PubChem
UniProt Database Links PARC_STRPN; PARE_STRPN ChEBI
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: O-801 NIH Clinical Collection via PubChem
biological_use Shows broad spectrum of activity against gram-positive and -negative bacteria IBScreen Bioactives
Target Topoisomerase Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 2850 0.30 Binding ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 3040 0.30 Binding ≤ 10μM
C3SLN2-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 1500 0.31 Binding ≤ 10μM
Q47245-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 1500 0.31 Binding ≤ 10μM
Z50380-2-O Mycobacterium Smegmatis (cluster #2 Of 4), Other Other 3130 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q47245_ECOLX Q47245 DNA Gyrase Subunit A, Ecolx 1500 0.31 Binding ≤ 10μM
C3SLN2_ECOLX C3SLN2 DNA Gyrase Subunit B, Ecolx 1500 0.31 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 3040 0.30 Binding ≤ 10μM
Z50380 Z50380 Mycobacterium Smegmatis 1730 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

Analogs ( Draw Identity 99% 90% 80% 70% )