UCSF

ZINC38197764

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 27 Yes

Popular Name: Gatifloxacin Gatifloxacin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 112811-59-3 , 160738-57-8 , 180200-66-2 , 316819-28-0 , 316819-33-7 , [112811-59-3] , [160738-57-8] , [180200-66-2]

Other Names:

(+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

(+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 1-cyclopro

(S)-gatifloxacin

oxacin

1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; AM 1155

1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic

1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid sesquihydrate

1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

112811-59-3

112811-59-3; AM 1155; C07661; Gatifloxacin

160738-57-8

160738-57-8; D08011; Gatifloxacin (INN); Gatifloxacin (TN); Zymer (TN)

180200-66-2

180200-66-2; D00589; GFLX; Gatiflo (TN); Gatifloxacin (USAN); Gatifloxacin hydrate (JAN); Tequin (TN); Zymar (TN)

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-

669

AC-1944

AC1L1K82

AKOS004119932

AM 1155

AM-1155

AM-1155 (*Sesquihydrate*)

AM-1155, CG5501, BMS-206584

AM-1155; BMS-206584-01

BB_SC-1123

BMS 206584-01

BMS-206584

BMS-206584-01

Bonoq

BRD-A74980173-001-02-8

BSPBio_002697

C07661

CG 5501

CG-5501

CHEBI:101712

CHEBI:5280

CHEMBL31

CID5379

CPD000043336

CPD000043336; Gatifloxacin; SAM002589955

CYCLOPROPYLFLUOROMETHOXYMETHYLPIPERAZINYLOXODIHYDROQUINOLINECARBOXYLI

CYCLOPROPYLFLUOROMETHOXYMETHYLPIPERAZINYLOXODIHYDROQUINOLINECARBOXYLICACIDSESQUIHYDRAT

D08011

DAP001387

DB01044

FT-0082686

Gaity

Gatiflo

Gatiflo,Tequin and Zymar

Gatiflo,Tequin and Zymar, Gatifloxacin

Gatifloxacin & Gamma Interferon

Gatifloxacin (FDA

Gatifloxacin (INN)

Gatifloxacin (TN)

Gatifloxacin HCl

Gatifloxacin Hydrochloride

Gatifloxacin lactate

Gatifloxacin mesylate

Gatifloxacin sesquihydrate

Gatifloxacin [USAN:INN]

gatifloxacin; gatifloxacine; gatifloxacino; gatifloxacinum

Gatifloxacine HCl

Gatilox

Gatiquin

Gatispan

GTFX

HMS1922J15

HMS2090K10

HMS2093G06

I06-2286

I06-2287

INN

KBio2_002442

KBio2_005010

KBio2_007578

KBio3_001917

KBioGR_001613

KBioSS_002448

Kinome_3137

LS-184402

MFCD00895399

MFCD07368033

MFCD08063913

MFCD09838901

MFCD09954660

MFCD22373645

MLS000040259

MLS000759493

MolPort-001-738-626

NA

NCGC00095126-01

NCGC00095126-02

NCGC00178525-01

PD 135432

PD-135432

PD135432

QA-8162

S1340_Selleck

S1340_Sellekc

SAM001246715

SAM002589955

SMR000043336

SPBio_000353

SPECTRUM1504272

Spectrum2_000487

Spectrum3_000999

Spectrum4_001127

Spectrum5_001468

Spectrum_001909

STK801620

Tequin

Tequin in dextrose 5% in plastic container

TL8001438

USAN)

Zymar

Zymaxid

Zymer

Zymer (TN)

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
Hi High (pH 8-9.5) -0.04 7.83 -63.43 1 7 -1 87 374.392 4 ↓
Mid Mid (pH 6-8) -0.04 7.05 -52.32 3 7 1 88 376.408 4 ↓
Mid Mid (pH 6-8) -2.78 7.73 -77.5 3 7 1 94 376.408 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.658 Bitter DB
ALOGPS_SOLUBILITY 6.31e-01 g/l DrugBank-approved
Purity 95+% Matrix Scientific
biological_use Antibacterial IBScreen Bioactives IBScreen Bioactives
biological_use Antibiotic IBScreen Bioactives
PUBCHEM_PATENT_ID EP1025846A1; EP1034173A2; WO1999026940A2; WO1999058129A1; WO1999064037A1; WO2000010570A1; WO2000012048A2; WO2000030617A1; WO2000059506A1; WO2000068229A2; WO2000071541A1 IBM Patent Data
mechanism Inhibits the bacterial enzymes DNA gyrase and topoisomerase IV IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : G-1213; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: G-1213; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
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 3890 0.28 Binding ≤ 10μM
GYRA-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 9400 0.26 Binding ≤ 10μM
GYRB-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 500 0.33 Binding ≤ 10μM
PARC-1-B Topoisomerase IV Subunit A (cluster #1 Of 1), Bacterial Bacteria 1200 0.31 Binding ≤ 10μM
GYRA-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 500 0.33 Functional ≤ 10μM
GYRB-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 500 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GYRA_ECOLI P0AES4 DNA Gyrase Subunit A, Ecoli 500 0.33 Binding ≤ 1μM
GYRB_ECOLI P0AES6 DNA Gyrase Subunit B, Ecoli 500 0.33 Binding ≤ 1μM
GYRA_MYCTU Q07702 DNA Gyrase Subunit A, Myctu 9400 0.26 Binding ≤ 10μM
GYRA_ECOLI P0AES4 DNA Gyrase Subunit A, Ecoli 500 0.33 Binding ≤ 10μM
GYRB_ECOLI P0AES6 DNA Gyrase Subunit B, Ecoli 500 0.33 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 3890 0.28 Binding ≤ 10μM
PARC_STAAU P0C1U9 Topoisomerase IV Subunit A, Staau 1200 0.31 Binding ≤ 10μM
GYRA_ECOLI P0AES4 DNA Gyrase Subunit A, Ecoli 500 0.33 Functional ≤ 10μM
GYRB_ECOLI P0AES6 DNA Gyrase Subunit B, Ecoli 500 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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

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