UCSF

ZINC03873156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 25 Yes

Other Names:

(+-)-1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-

(+-)-1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

(+-)-1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride; 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-, monohydrochloride; 3-Quinolinecarboxylic

(+-)-1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1,4-Dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; LFLX; Lomefloxacine; Lomefloxacino; Lomefloxacinum

(S)-2-Aminosuccinic acid 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (1:1)

oxacin

1,4-Dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid hydrochloride

1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

1-Ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride

1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid hydrochloride

1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

114394-67-1; D02541; Lomefloxacin mesylate (USAN)

3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-

3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo- (+/-)

3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, (+-)-

3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, monohydrochloride

679

98079-51-7

98079-51-7; D02318; LFLX; Lomefloxacin (USAN)

98079-52-8 (HYDROCHLORIDE)

98079-52-8; C08053; Lomefloxacin hydrochloride

98079-52-8; Lomefloxacin hydrochloride; Prestwick_581

AC1L1H2N

Bareon

BPBio1_000347

BRD-A75850590-003-05-6

BRN 4210041

BSPBio_000315

BSPBio_003107

C07078

C17H19F2N3O3

CCRIS 6305

CHEBI:116278

CHEBI:6517

CHEMBL561

CID3948

D02318

DAP000653

DB00978

DivK1c_000365

DM 10 (bactericide)

DM-10

FDA

FDA); Lomefloxacin Mesylate (USAN)

Fleroxacin hydrochloride

HMS2090O16

IDI1_000365

INN

JAN

KBio1_000365

KBio2_001911

KBio2_004479

KBio2_007047

KBio3_002607

KBioGR_000636

KBioSS_001911

L2906_SIGMA

Lemofloxacin

LFLX

LFLX;Lomefloxacin hydrochloride;Lomefloxacine [French];Lomefloxacino [Spanish];Lomefloxacinum [Latin]

Logiflox

Lomebact

Lomefloxacin

Lomefloxacin (BAN

Lomefloxacin (USAN)

Lomefloxacin Hcl

Lomefloxacin hydrochloride (Maxaquin)

Lomefloxacin [USAN:BAN:INN]

Lomefloxacine

Lomefloxacine [French]

LOMEFLOXACINHYDROCHLORIDE

Lomefloxacino

Lomefloxacino [Spanish]

Lomefloxacinum

Lomefloxacinum [Latin]

LS-141570

LS-190018

Maxaquin

Maxaquin (hydrochloride)

Maxaquin, Okacyn, Uniquin

Maxaquine

MFCD00214312

MFCD00242673

MFCD08692040

MFCD09840840

NA

NCGC00015603-05

NCGC00162221-01

NCGC00178293-01

NCGC00178293-02

NINDS_000365

NY-198

NY-198 (hydrochloride)

Okacin

Okacyn

Prestwick0_000238

Prestwick1_000238

Prestwick2_000238

Prestwick3_000238

QA-9959

SC 4711

SC 47111A

SC-4711

SC-47111

SC-47111 (hydrochloride)

SC-47111A

SC-47111A; NY-198; SC-47111; SC-47111B

SC-47111B (mesylate)

SMP1_000287

SPBio_000851

SPBio_002236

Spectrum2_000696

Spectrum3_001494

Spectrum4_000158

Spectrum5_001246

Spectrum_001431

ST072201

TL8006033

UNII-9VC7S3ZXXB

UNII-L6BR2WJD8V

Uniquin

USAN

USAN); Lomefloxacin HCl (FDA

USAN); Lomefloxacin HCl (JAN

USAN); Lomefloxacin Hydrochloride (JAN

USAN); Lomefloxacin Mesylate (USAN)

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) 0.08 9.21 -94.07 2 6 0 82 351.353 3
Hi High (pH 8-9.5) 0.08 7.94 -58.12 1 6 -1 77 350.345 3
Mid Mid (pH 6-8) -2.66 7.04 -75.93 3 6 1 85 352.361 2

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.08 Bitter DB
ALOGPS_SOLUBILITY 1.06e-01 g/l DrugBank-approved
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
therap antibacterial MicroSource Spectrum
Indications Antibiotic KeyOrganics Bioactives
Target Antifection Selleck Chemicals
Therapy antimicrobial SMDC MicroSource
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50380-1-O Mycobacterium Smegmatis (cluster #1 Of 4), Other Other 4880 0.30 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 6310 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50380 Z50380 Mycobacterium Smegmatis 1440 0.33 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.28 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.