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| 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 ยตM/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 |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.643 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.844 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.716 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.774 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 81.150 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 86.450 | % | High | 1 |
| herg | hERG pIC50 | 4.570 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.303 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.451 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 78.600 | % | High | 1 |
| kinase-safety-class | ACVR2B,CDK5,EIF2AK3,GRK2,PDK1,PDK2,PRKDC | 7 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2D,CDK9,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK7,MARK4,PDK4,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK,TTK | 19 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.962 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 7.161 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 4.786 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 84.240 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 9.840 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 82.520 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.034 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.611 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 87.940 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 68.280 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 829.851 | uM | High | 1 |
| 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 | 567.68 | 40.49 | 95 | 2556 | 2998 | 90622798 |
| Bloody discharge | 453.58 | 40.49 | 75 | 2576 | 2188 | 90623608 |
| Lyme disease | 393.33 | 40.49 | 73 | 2578 | 4189 | 90621607 |
| Therapeutic product effect incomplete | 171.44 | 40.49 | 92 | 2559 | 193804 | 90431992 |
| Iron deficiency | 168.88 | 40.49 | 42 | 2609 | 9570 | 90616226 |
| Drug hypersensitivity | 142.04 | 40.49 | 113 | 2538 | 463496 | 90162300 |
| Infection | 134.36 | 40.49 | 99 | 2552 | 361995 | 90263801 |
| Platelet count increased | 132.43 | 40.49 | 41 | 2610 | 20818 | 90604978 |
| Secretion discharge | 130.06 | 40.49 | 38 | 2613 | 15858 | 90609938 |
| Drug intolerance | 109.67 | 40.49 | 96 | 2555 | 447495 | 90178301 |
| Staphylococcal infection | 98.68 | 40.49 | 41 | 2610 | 48398 | 90577398 |
| Red blood cell sedimentation rate increased | 80.65 | 40.49 | 42 | 2609 | 82553 | 90543243 |
| Pyramidal tract syndrome | 54.20 | 40.49 | 10 | 2641 | 549 | 90625247 |
| Hypoaesthesia | 51.19 | 40.49 | 54 | 2597 | 314156 | 90311640 |
| Vomiting | 48.36 | 40.49 | 84 | 2567 | 788209 | 89837587 |
| Dyslalia | 45.58 | 40.49 | 9 | 2642 | 709 | 90625087 |
| 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 | 65.30 | 36.06 | 21 | 898 | 16421 | 42603995 |
| Hydrocholecystis | 38.24 | 36.06 | 7 | 912 | 502 | 42619914 |
| 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 | 525.73 | 31.87 | 97 | 4241 | 3983 | 110580978 |
| Bloody discharge | 430.21 | 31.87 | 77 | 4261 | 2656 | 110582305 |
| Lyme disease | 382.84 | 31.87 | 75 | 4263 | 4241 | 110580720 |
| Therapeutic product effect incomplete | 138.49 | 31.87 | 94 | 4244 | 223711 | 110361250 |
| Iron deficiency | 137.61 | 31.87 | 44 | 4294 | 18432 | 110566529 |
| Infection | 120.19 | 31.87 | 105 | 4233 | 362095 | 110222866 |
| Platelet count increased | 118.57 | 31.87 | 43 | 4295 | 26291 | 110558670 |
| Secretion discharge | 117.75 | 31.87 | 40 | 4298 | 20204 | 110564757 |
| Drug hypersensitivity | 114.64 | 31.87 | 113 | 4225 | 453977 | 110130984 |
| Drug intolerance | 96.68 | 31.87 | 98 | 4240 | 406414 | 110178547 |
| Staphylococcal infection | 78.26 | 31.87 | 43 | 4295 | 69901 | 110515060 |
| Amaurosis fugax | 76.77 | 31.87 | 18 | 4320 | 2372 | 110582589 |
| Red blood cell sedimentation rate increased | 76.39 | 31.87 | 44 | 4294 | 78258 | 110506703 |
| Hepatic encephalopathy | 66.87 | 31.87 | 29 | 4309 | 28227 | 110556734 |
| Vomiting | 58.30 | 31.87 | 117 | 4221 | 910558 | 109674403 |
| Urinary tract disorder | 47.97 | 31.87 | 15 | 4323 | 5829 | 110579132 |
| Haemorrhagic stroke | 45.66 | 31.87 | 18 | 4320 | 13771 | 110571190 |
| Hypoaesthesia | 42.85 | 31.87 | 57 | 4281 | 314166 | 110270795 |
| Pyramidal tract syndrome | 41.46 | 31.87 | 9 | 4329 | 838 | 110584123 |
| Tendonitis | 40.52 | 31.87 | 20 | 4318 | 26063 | 110558898 |
| Ocular discomfort | 38.63 | 31.87 | 14 | 4324 | 8519 | 110576442 |
| Fatigue | 38.09 | 31.87 | 119 | 4219 | 1215839 | 109369122 |
| Ascites | 36.99 | 31.87 | 30 | 4308 | 92778 | 110492183 |
| Dizziness | 35.66 | 31.87 | 82 | 4256 | 698111 | 109886850 |
| Hydrocholecystis | 32.93 | 31.87 | 7 | 4331 | 590 | 110584371 |
| Eosinophils urine present | 32.26 | 31.87 | 5 | 4333 | 69 | 110584892 |
| Dyslalia | 31.93 | 31.87 | 8 | 4330 | 1389 | 110583572 |
None
| 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 | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D059005 | Topoisomerase II Inhibitors |
| MeSH PA | D065607 | Cytochrome P-450 Enzyme Inhibitors |
| MeSH PA | D065609 | Cytochrome P-450 CYP1A2 Inhibitors |
| FDA EPC | N0000175937 | Quinolone Antimicrobial |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:59517 | DNA synthesis inhibitor |
| CHEBI has role | CHEBI:62868 | hepatoprotective agent |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
| 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 | ||
| 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 | ||
| Enterococcus Endomyometritis | 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 | ||
| Bacteroides Postpartum Infection | indication | ||
| Staphylococcus Aureus Bronchitis | indication | ||
| Enterobacter Cystitis | 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 |
None
None
| 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 | |||||
| Bromodomain-containing protein 4 | Nuclear other | IC50 | 6.01 | CHEMBL | |||||
| 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 gyrase subunit A | Enzyme | INHIBITOR | IC50 | 6.05 | WOMBAT-PK | CHEMBL | |||
| DNA topoisomerase 4 subunit A | Enzyme | INHIBITOR | IC50 | 5.29 | 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 | Transporter | Kd | 4.01 | CHEMBL |
| ID | Source |
|---|---|
| 4019503 | VUID |
| N0000147623 | NUI |
| D00210 | KEGG_DRUG |
| 4019503 | VANDF |
| CHEBI:100246 | CHEBI |
| CHEMBL9 | ChEMBL_ID |
| 12408 | IUPHAR_LIGAND_ID |
| DB01059 | DRUGBANK_ID |
| N0F8P22L1P | UNII |
| 7517 | RXNORM |
| 5189 | MMSL |
| d00113 | MMSL |
| 002881 | NDDF |
| 387271008 | SNOMEDCT_US |
| 49485009 | SNOMEDCT_US |
| C0028365 | UMLSCUI |
| D009643 | MESH_DESCRIPTOR_UI |
| 5105 | INN_ID |
| 4539 | PUBCHEM_CID |
| N0F8P22L1P | INXIGHT DRUGS |
None