| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 26 | Yes |
Popular Name: Ofloxacin Ofloxacin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100986-85-4 , 100986-86-5 , 118120-51-7 , 138199-71-0 , 1400645-02-4 , 82419-36-1 , 83380-47-6 , [100986-85-4] , [118120-51-7] , [82419-36-1]
118120-51-7; D08291; Ofloxacin hydrochloride; Tarivid (TN)
82419-36-1; D00453; Floxin (TN); OFLX; Ofloxacin (JP16/USP/INN)
CPD000058192; OFLOXACIN; SAM002264629
DL-8280, HOE-280, Exocin, Flobacin, Floxin, Floxil, Monoflocet
Ofloxacin hydrochloride, 98.5%+
Ofloxacin hydrochloride, Antibiotic for Culture Media Use Only
| 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 | 10.08 | -92.39 | 1 | 7 | 0 | 79 | 361.373 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 7.74 | -63.35 | 0 | 7 | -1 | 78 | 360.365 | 2 | ↓ |
| Mid Mid (pH 6-8) | -3.01 | 8.22 | -73.63 | 2 | 7 | 1 | 82 | 362.381 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.607 | Bitter DB |
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.44e+00 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| therap | antibacterial | MicroSource Spectrum |
| biological_use | Antibacterial agent | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antibacterial agent; Antiseptic | ZereneX Building Blocks |
| Indications | antibiotic | KeyOrganics Bioactives |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 | 2850 | 0.30 | Binding ≤ 10μM |
| Z50380 | Z50380 | Mycobacterium Smegmatis | 1730 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
