UCSF

ZINC22059930

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 No

Popular Name: gemifloxacin mesylate gemifloxacin mesylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 175463-14-6 , 204519-64-2 , 204519-65-3 , 210353-53-0

Other Names:

oxacin

1,8-Naphthyridine-3-carboxylic acid, 7-(3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

1,8-Naphthyridine-3-carboxylic acid, 7-(3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; 7-(3-Aminomethyl-4-methoxyimino-pyrrolidine-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-(1,8)-naphthyridine-3-carboxylic

1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

175463-14-6

204519-64-2

204519-64-2; D08012; Factiv (TN); Gemifloxacin (INN)

210353-52-9

210353-53-0

210353-53-0; D02471; Factive (TN); Gemifloxacin mesylate (USAN)

210353-55-2

210353-56-3

214346-11-9

7-(3-Aminomethyl)-4-methoxyimino-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid

7-(3-Aminomethyl-4-methoxyimino-pyrrolidine-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-(1,8)-naphthyridine-3-carboxylic acid

7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

ARB-FV0127

BRD-A40787240-066-02-0

BSPBio_002308

CHEBI:101853

CHEMBL430

CID9571107

D08012

DAP000851

Factiv

Factiv (TN)

Factive

Gemifioxacin

Gemifioxacin mesylate

Gemifloxacin

Gemifloxacin (INN)

Gemifloxacin (INN); Gemifloxacin Mesylate (FDA

Gemifloxacin (mesylate)

Gemifloxacin mesilate

Gemifloxacin mesilate;Gemifloxacin mesylate

Gemifloxacin Mesylate

Gemifloxacin Mesylate (FDA

Gemifloxacin [INN]

LB 20304

LB 20304a

LB-20304

LB-20304a

LB-20304a; SB-265805-S

LS-186992

LS-187779

MFCD08277637

NCGC00178711-01

SB 265805

SB-265805

SB-265805-S

USAN)

USAN); Gemifloxacin (INN)

Download: MOL2 SDF SMILES Flexibase

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) -0.76 8.24 -101.68 3 9 0 128 389.387 5 ↓
Hi High (pH 8-9.5) -0.76 7.69 -64.02 2 9 -1 126 388.379 5 ↓
Lo Low (pH 4.5-6) -4.30 6.86 -79.66 4 9 1 130 390.395 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.10e-01 g/l DrugBank-approved
Therapy antibacterial SMDC Pharmakon

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GYRA-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 500 0.32 Binding ≤ 10μM
GYRB-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 500 0.32 Binding ≤ 10μM
PARC-1-B Topoisomerase IV Subunit A (cluster #1 Of 1), Bacterial Bacteria 300 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GYRA_ECOLI P0AES4 DNA Gyrase Subunit A, Ecoli 500 0.32 Binding ≤ 1μM
GYRB_ECOLI P0AES6 DNA Gyrase Subunit B, Ecoli 500 0.32 Binding ≤ 1μM
PARC_STAAU P0C1U9 Topoisomerase IV Subunit A, Staau 300 0.33 Binding ≤ 1μM
GYRA_ECOLI P0AES4 DNA Gyrase Subunit A, Ecoli 500 0.32 Binding ≤ 10μM
GYRB_ECOLI P0AES6 DNA Gyrase Subunit B, Ecoli 500 0.32 Binding ≤ 10μM
PARC_STAAU P0C1U9 Topoisomerase IV Subunit A, Staau 300 0.33 Binding ≤ 10μM

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