Stem definition | Drug id | CAS RN |
---|---|---|
antibacterials, nalidixic acid derivatives | 1967 | 70458-96-7 |
Dose | Unit | Route |
---|---|---|
0.80 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.75 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 29 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 35.79 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 35 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.88 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 6.96 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.13 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 4.45 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Oct. 31, 1986 | FDA |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
International normalised ratio fluctuation | 335.06 | 27.27 | 61 | 2076 | 2282 | 53344647 |
Bloody discharge | 208.33 | 27.27 | 37 | 2100 | 1194 | 53345735 |
Lyme disease | 167.98 | 27.27 | 35 | 2102 | 2642 | 53344287 |
Therapeutic product effect incomplete | 103.59 | 27.27 | 57 | 2080 | 91727 | 53255202 |
Infection | 93.08 | 27.27 | 67 | 2070 | 172138 | 53174791 |
Drug intolerance | 72.11 | 27.27 | 62 | 2075 | 205431 | 53141498 |
Drug hypersensitivity | 67.76 | 27.27 | 67 | 2070 | 265175 | 53081754 |
Pyramidal tract syndrome | 55.43 | 27.27 | 10 | 2127 | 351 | 53346578 |
Bradypnoea | 33.43 | 27.27 | 10 | 2127 | 3287 | 53343642 |
Bundle branch block right | 33.01 | 27.27 | 11 | 2126 | 5122 | 53341807 |
Eosinophils urine present | 29.69 | 27.27 | 4 | 2133 | 18 | 53346911 |
Drug interaction | 29.65 | 27.27 | 40 | 2097 | 219289 | 53127640 |
Tendonitis | 29.04 | 27.27 | 14 | 2123 | 16992 | 53329937 |
MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
---|---|---|---|---|---|---|
Hepatic encephalopathy | 45.75 | 23.58 | 18 | 1163 | 14877 | 32497468 |
Hydrocholecystis | 38.97 | 23.58 | 7 | 1174 | 265 | 32512080 |
Obsessive-compulsive disorder | 30.44 | 23.58 | 10 | 1171 | 4924 | 32507421 |
Tendon rupture | 30.29 | 23.58 | 11 | 1170 | 7292 | 32505053 |
Tendonitis | 28.37 | 23.58 | 11 | 1170 | 8724 | 32503621 |
Intracranial aneurysm | 28.18 | 23.58 | 7 | 1174 | 1271 | 32511074 |
Mania | 27.33 | 23.58 | 11 | 1170 | 9621 | 32502724 |
Source | Code | Description |
---|---|---|
ATC | J01MA06 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE QUINOLONE ANTIBACTERIALS Fluoroquinolones |
ATC | J01RA13 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE COMBINATIONS OF ANTIBACTERIALS Combinations of antibacterials |
ATC | J01RA14 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE COMBINATIONS OF ANTIBACTERIALS Combinations of antibacterials |
ATC | S01AE02 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFECTIVES Fluoroquinolones |
FDA CS | M0023650 | Quinolones |
MeSH PA | D000900 | Anti-Bacterial Agents |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000970 | Antineoplastic Agents |
MeSH PA | D065609 | Cytochrome P-450 CYP1A2 Inhibitors |
MeSH PA | D065607 | Cytochrome P-450 Enzyme Inhibitors |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D065606 | Metabolic Side Effects of Drugs and Substances |
MeSH PA | D059005 | Topoisomerase II Inhibitors |
FDA EPC | N0000175937 | Quinolone Antimicrobial |
CHEBI has role | CHEBI:35703 | Xenobiotic |
CHEBI has role | CHEBI:36047 | antibacterial drugs |
CHEBI has role | CHEBI:59517 | DNA synthesis inhibitors |
CHEBI has role | CHEBI:78298 | environmental contaminants |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Otitis externa | indication | 3135009 | |
Typhoid fever | indication | 4834000 | DOID:13258 |
Septicemia due to Escherichia coli | indication | 9323009 | |
Prostatitis | indication | 9713002 | DOID:14654 |
Infection due to Pseudomonas aeruginosa | indication | 11218009 | |
Gonorrhea | indication | 15628003 | DOID:7551 |
Enteric campylobacteriosis | indication | 18081009 | |
Infectious diarrheal disease | indication | 19213003 | DOID:13250 |
Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
Acute gonococcal cervicitis | indication | 20943002 | DOID:10615 |
Staphylococcal pneumonia | indication | 22754005 | |
Acute gonococcal urethritis | indication | 29864006 | |
Acute bacterial peritonitis | indication | 31860008 | |
Bronchitis | indication | 32398004 | DOID:6132 |
Postoperative infection | indication | 33910007 | |
Pneumonia due to Streptococcus | indication | 34020007 | |
Shigellosis | indication | 36188001 | |
Cystitis | indication | 38822007 | DOID:1679 |
Pneumonia due to Pseudomonas | indication | 41381004 | |
Gonorrhea of rectum | indication | 42746002 | |
Pyelonephritis | indication | 45816000 | DOID:11400 |
Pneumonia due to Mycoplasma pneumoniae | indication | 46970008 | |
Peritonitis | indication | 48661000 | |
Lower respiratory tract infection | indication | 50417007 | |
Pneumonia due to Escherichia coli | indication | 51530003 | |
Bacterial pneumonia | indication | 53084003 | DOID:874 |
Klebsiella cystitis | indication | 60867007 | |
Pneumonia due to Klebsiella pneumoniae | indication | 64479007 | |
Acute gonococcal endometritis | indication | 65295003 | DOID:7527 |
Miscarriage with sepsis | indication | 67465009 | |
Acute maxillary sinusitis | indication | 68272006 | DOID:2050 |
Urinary tract infectious disease | indication | 68566005 | |
Haemophilus influenzae pneumonia | indication | 70036007 | |
Infection due to Escherichia coli | indication | 71057007 | |
Rhinoscleroma | indication | 72409005 | DOID:11336 |
Abdominal abscess | indication | 75100008 | |
Acute bacterial sinusitis | indication | 75498004 | |
Nongonococcal urethritis | indication | 84619001 | |
Infective otitis externa | indication | 86981007 | DOID:9463 |
Chronic tubotympanic suppurative otitis media | indication | 87665008 | DOID:14435 |
Endomyometritis | indication | 88027004 | |
Infection of bone | indication | 111253001 | |
Female genital tract infection | indication | 125585007 | |
Infectious disease of abdomen | indication | 128070006 | |
Bacterial conjunctivitis | indication | 128350005 | DOID:9700 |
Infection due to Enterobacteriaceae | indication | 128945009 | |
Postnatal infection | indication | 178280004 | |
Urethritis due to Chlamydia trachomatis | indication | 179101003 | |
Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
Chlamydial pelvic inflammatory disease | indication | 188463006 | |
Acute Moraxella catarrhalis bronchitis | indication | 195722003 | |
Proteus pneumonia | indication | 195888009 | |
Malignant otitis externa due to Pseudomonas aeruginosa | indication | 232230009 | |
Acute bacterial bronchitis | indication | 233598009 | |
Pneumonia | indication | 233604007 | DOID:552 |
Pneumococcal pneumonia | indication | 233607000 | |
Chlamydial pneumonia | indication | 233609002 | |
Infective cystitis | indication | 236620008 | |
Chancroid | indication | 266143009 | DOID:13778 |
Female pelvic cellulitis | indication | 280486004 | |
Escherichia coli urinary tract infection | indication | 301011002 | |
Proteus urinary tract infection | indication | 301012009 | |
Streptococcus pyogenes infection | indication | 302809008 | |
Bacterial urinary infection | indication | 312124009 | |
Infective otitis media | indication | 312218008 | |
Infectious disorder of joint | indication | 363162000 | |
Infection due to Staphylococcus aureus | indication | 406602003 | |
Anthrax | indication | 409498004 | DOID:7427 |
Acute osteomyelitis | indication | 409780002 | |
Nosocomial pneumonia | indication | 425464007 | |
Acute exacerbation of chronic bronchitis | indication | 425748003 | |
Urinary tract infection caused by Klebsiella | indication | 369001000119100 | |
Enterococcus Urinary Tract Infection | indication | ||
Klebsiella Pneumoniae Chronic Bronchitis | indication | ||
Pseudomonas Aeruginosa Cystitis | indication | ||
Haemophilus Parainfluenzae Chronic Bronchitis | indication | ||
Complicated Urinary Tract Infections | indication | ||
Prevotella Postpartum Infection | indication | ||
Complicated Bacterial Peritonitis | indication | ||
E. Coli Cystitis | indication | ||
Complicated Skin and Skin Structure Streptococcus Pyogenes Infection | indication | ||
Bacterial Corneal Ulcer Infection | indication | ||
Enterobacter Osteomyelitis | indication | ||
Staphylococcus Cystitis | indication | ||
Citrobacter Urinary Tract Infection | indication | ||
Gardnerella Septic Abortion | indication | ||
Enterobacter Pneumonia | indication | ||
Providencia Urinary Tract Infection | indication | ||
Complicated Skin and Skin Structure Staphylococcus Aureus Infection | indication | ||
Chlamydia Pneumoniae Bronchitis | indication | ||
Morganella Morganii Urinary Tract Infection | indication | ||
Skin and Skin Structure Morganella Morganii Infection | indication | ||
Complicated Klebsiella Peritonitis | indication | ||
Bacteroides Pelvic Cellulitis | indication | ||
Moraxella Catarrhalis Chronic Bronchitis | indication | ||
Haemophilus Influenzae Chronic Bronchitis | indication | ||
Staphylococcus Epidermidis Urinary Tract Infection | indication | ||
Legionella Pneumophila Pneumonia | indication | ||
EnterobacterJoint Infection | indication | ||
E. Coli Endomyometritis | indication | ||
Streptococcal Pelvic Cellulitis | indication | ||
Bacteroides Endomyometritis | indication | ||
Chronic Enterococcus faecalis Prostatitis | indication | ||
Gardnerella Endomyometritis | indication | ||
Pseudomonas Aeruginosa Osteomyelitis | indication | ||
Nosocomial Pneumonia due to Methicillin-Sensitive Staphylococcus Aureus | indication | ||
Enterococcus Pelvic Cellulitis | indication | ||
Serratia Joint Infection | indication | ||
Proteus Prostatitis | indication | ||
Complicated E. Coli Peritonitis | indication | ||
Skin and Skin Structure Citrobacter Infection | indication | ||
Skin and Skin Structure Proteus Infection | indication | ||
Serratia Urinary Tract Infection | indication | ||
Pseudomonas Aeruginosa Urinary Tract Infection | indication | ||
Gardnerella Postpartum Infection | indication | ||
Enterococcus Postpartum Infection | indication | ||
Bacteroides Septic Abortion | indication | ||
Prevotella Septic Abortion | indication | ||
Skin and Skin Structure Providencia Infection | indication | ||
Prevention of Infection in Transrectal Prostate Biopsy | indication | ||
Chronic Escherichia coli Prostatitis | indication | ||
Gardnerella Pelvic Cellulitis | indication | ||
Complicated Skin and Skin Structure Streptococcus Agalactiae Infection | indication | ||
Enterococcus Complicated UTI | indication | ||
Prevotella Pelvic Cellulitis | indication | ||
Diarrhea due to E. Coli | indication | ||
Complicated Proteus UTI | indication | ||
Streptococcal Endomyometritis | indication | ||
Streptococcus Pneumoniae Chronic Bronchitis | indication | ||
E. Coli Septic Abortion | indication | ||
Haemophilus Influenzae Bronchitis | indication | ||
Complicated Streptococcus Peritonitis | indication | ||
Complicated Skin and Skin Structure Infection | indication | ||
Nosocomial Pneumonia due to Escherichia Coli | indication | ||
E. Coli Pyelonephritis | indication | ||
Vaginal Hysterectomy Infection Prevention | indication | ||
Peptostreptococcus Postpartum Infection | indication | ||
Enterobacter Cloacae Bronchitis | indication | ||
Mixed Gonococcal and Chlamydia Infection of the Urethra | indication | ||
Peptostreptococcus Endomyometritis | indication | ||
Gram-Negative Aerobic Bacillary Pneumonia | indication | ||
Citrobacter Complicated UTI | indication | ||
Colorectal Surgery Infection Prevention | indication | ||
Enterococcus Endomyometritis | indication | ||
Klebsiella Nosocomial Pneumonia | indication | ||
Chlamydia Cervicitis | indication | ||
Chronic Staphylococcus epidermidis Prostatitis | indication | ||
Mixed Gonococcal and Chlamydia Infection of the Cervix | indication | ||
Nosocomial Pneumonia due to Serratia Marcescens | indication | ||
Skin and Skin Structure Streptococcus Infection | indication | ||
Nosocomial Pneumonia due to Streptococcus Pneumoniae | indication | ||
Synergy for Nosocomial Pneumonia due to Pseudomonas Aeruginosa | indication | ||
Streptococcal Septic Abortion | indication | ||
Prevotella Endomyometritis | indication | ||
Staphylococcus Aureus Otitis Externa | indication | ||
Proteus Cystitis | indication | ||
Skin and Skin Structure Serratia Infection | indication | ||
Complicated Skin and Skin Structure Proteus Infection | indication | ||
Peptostreptococcus Septic Abortion | indication | ||
Pseudomonas Aeruginosa Joint Infection | indication | ||
Moraxella Catarrhalis Pneumonia | indication | ||
Complicated Skin and Skin Structure Enterococcus Faecalis Infection | indication | ||
Pelvic Inflammatory Disease with Neisseria Gonorrhea | indication | ||
Citrobacter Cystitis | indication | ||
Serratia Osteomyelitis | indication | ||
E. Coli Postpartum Infection | indication | ||
Prevention of Infection from Transurethral Surgery | indication | ||
Enterobacter Cystitis | indication | ||
Bacteroides Postpartum Infection | indication | ||
Staphylococcus Aureus Bronchitis | indication | ||
Complicated UTI with Pseudomonas Aeruginosa | indication | ||
Streptococcal Postpartum Infection | indication | ||
E. Coli Pelvic Cellulitis | indication | ||
Complicated Skin and Skin Structure Pseudomonas Aeruginosa Infection | indication | ||
Haemophilus Parainfluenzae Bronchitis | indication | ||
Nosocomial Pneumonia due to Klebsiella Pneumoniae | indication | ||
Haemophilus Parainfluenzae Pneumonia | indication | ||
Skin and Skin Structure Pseudomonas Aeruginosa Infection | indication | ||
Staphylococcus Epidermidis Skin and Skin Structure Infection | indication | ||
Complicated Skin and Skin Structure E. Coli Infection | indication | ||
Nosocomial Pneumonia due to Haemophilus Influenzae | indication | ||
Peptostreptococcus Pelvic Cellulitis | indication | ||
Streptococcus Pneumoniae Bronchitis | indication | ||
Staphylococcus Chronic Bronchitis | indication | ||
Complicated Bacteroides Peritonitis | indication | ||
Chronic Bacterial Prostatitis | indication | ||
Enterococcus Septic Abortion | indication | ||
Staphylococcus Saprophyticus Urinary Tract Infection | indication | ||
Inhalational anthrax | off-label use | 11389007 | |
Traveler's diarrhea | off-label use | 11840006 | |
Acute tuberculosis | off-label use | 25629007 | |
Salmonella septicemia | off-label use | 49786009 | |
Cutaneous anthrax | off-label use | 84980006 | DOID:7426 |
Gastrointestinal anthrax | off-label use | 111798006 | DOID:13386 |
Pulmonary tuberculosis | off-label use | 154283005 | DOID:2957 |
Diverticulitis of gastrointestinal tract | off-label use | 271366000 | |
Bacterial gastroenteritis | off-label use | 274080003 | |
Ventilator-acquired pneumonia | off-label use | 429271009 | |
Prevention of Meningococcal Meningitis | off-label use | ||
Diabetic Foot Infection | off-label use | ||
Hallucinations | contraindication | 7011001 | |
Achilles tendinitis | contraindication | 11654001 | |
Agranulocytosis | contraindication | 17182001 | DOID:12987 |
Lowered convulsive threshold | contraindication | 19260006 | |
Cirrhosis of liver | contraindication | 19943007 | DOID:5082 |
Torsades de pointes | contraindication | 31722008 | |
Transplantation of heart | contraindication | 32413006 | |
Dehydration | contraindication | 34095006 | |
Tendinitis | contraindication | 34840004 | DOID:971 |
Depressive disorder | contraindication | 35489007 | |
Hypokalemia | contraindication | 43339004 | |
Conduction disorder of the heart | contraindication | 44808001 | |
Bradycardia | contraindication | 48867003 | |
Acute nephropathy | contraindication | 58574008 | |
Hepatic failure | contraindication | 59927004 | |
Psychotic disorder | contraindication | 69322001 | |
Transplant of kidney | contraindication | 70536003 | |
Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
Epilepsy | contraindication | 84757009 | DOID:1826 |
Leukopenia | contraindication | 84828003 | DOID:615 |
Transplant of lung | contraindication | 88039007 | |
Kidney disease | contraindication | 90708001 | DOID:557 |
Myasthenia gravis | contraindication | 91637004 | DOID:437 |
Prolonged QT interval | contraindication | 111975006 | |
Pancytopenia | contraindication | 127034005 | DOID:12450 |
Liver function tests abnormal | contraindication | 166603001 | |
Hypomagnesemia | contraindication | 190855004 | |
Superimposed infection | contraindication | 193198003 | |
Impaired renal function disorder | contraindication | 197663003 | |
Disease of liver | contraindication | 235856003 | DOID:409 |
Drug-induced hepatitis | contraindication | 235876009 | |
Rhabdomyolysis | contraindication | 240131006 | |
Anemia | contraindication | 271737000 | DOID:2355 |
Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
Peripheral nerve disease | contraindication | 302226006 | |
Viral ear infection | contraindication | 312137007 | |
Pseudomembranous enterocolitis | contraindication | 397683000 | |
Myocardial ischemia | contraindication | 414795007 | DOID:3393 |
Traumatic rupture of tendon | contraindication | 415749005 | |
Congenital long QT syndrome | contraindication | 442917000 | |
Shoulder Tendonitis | contraindication | ||
Tremors | contraindication | ||
Severe Cerebral Arteriosclerosis | contraindication |
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 5.98 | acidic |
pKa2 | 8.54 | Basic |
pKa3 | 1.37 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Gamma-aminobutyric acid receptor subunit alpha-3 | Ion channel | IC50 | 6.29 | WOMBAT-PK | |||||
Gamma-aminobutyric acid receptor subunit alpha-5 | Ion channel | IC50 | 6.29 | WOMBAT-PK | |||||
Gamma-aminobutyric acid receptor subunit alpha-4 | Ion channel | IC50 | 6.29 | WOMBAT-PK | |||||
Gamma-aminobutyric acid receptor subunit alpha-6 | Ion channel | IC50 | 6.29 | WOMBAT-PK | |||||
DNA topoisomerase 2-beta | Enzyme | IC50 | 6.22 | WOMBAT-PK | |||||
Multidrug and toxin extrusion protein 1 | Transporter | IC50 | 4.75 | CHEMBL | |||||
Gamma-aminobutyric acid receptor subunit alpha-1 | Ion channel | IC50 | 6.29 | WOMBAT-PK | |||||
Gamma-aminobutyric acid receptor subunit alpha-2 | Ion channel | IC50 | 6.29 | WOMBAT-PK | |||||
DNA topoisomerase 4 subunit A | Enzyme | INHIBITOR | IC50 | 5.29 | WOMBAT-PK | CHEMBL | |||
DNA gyrase subunit A | Enzyme | INHIBITOR | IC50 | 6.05 | WOMBAT-PK | CHEMBL | |||
DNA topoisomerase 4 subunit A | Enzyme | IC50 | 5.46 | CHEMBL | |||||
DNA gyrase subunit A | Enzyme | IC50 | 4.28 | CHEMBL | |||||
GABA-A receptor; anion channel | Ion channel | IC50 | 7.70 | CHEMBL | |||||
Multidrug resistance protein mdtK | Unclassified | Kd | 4.01 | CHEMBL |
ID | Source |
---|---|
4019503 | VUID |
N0000147623 | NUI |
D00210 | KEGG_DRUG |
4019503 | VANDF |
CHEBI:100246 | CHEBI |
CHEMBL9 | ChEMBL_ID |
CHEMBL33 | ChEMBL_ID |
5105 | INN_ID |
DB01059 | DRUGBANK_ID |
N0F8P22L1P | UNII |
4539 | PUBCHEM_CID |
7517 | RXNORM |
5189 | MMSL |
d00113 | MMSL |
002881 | NDDF |
387271008 | SNOMEDCT_US |
49485009 | SNOMEDCT_US |
D009643 | MESH_DESCRIPTOR_UI |
C0028365 | UMLSCUI |
None