Stem definition | Drug id | CAS RN |
---|---|---|
quinoline derivatives | 1395 | 118-42-3 |
Dose | Unit | Route |
---|---|---|
0.52 | g | O |
Property | Value | Reference |
---|---|---|
t_half (Half-life) | 850 hours | Lombardo F, Berellini G, Obach RS |
BA (Bioavailability) | 74 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 700 L/kg | Lombardo F, Berellini G, Obach RS |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 29.77 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
EoM (Fraction excreted unchanged in urine) | 27 % | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 20 mg/mL | Bocci G, Oprea TI, Benet LZ |
CL (Clearance) | 11 mL/min/kg | Lombardo F, Berellini G, Obach RS |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
fu (Fraction unbound in plasma) | 0.57 % | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
April 18, 1955 | FDA | SANOFI AVENTIS US |
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 |
---|---|---|---|---|---|---|
Drug ineffective | 6594.49 | 11.71 | 20444 | 477562 | 1024321 | 61966695 |
Drug intolerance | 5003.29 | 11.71 | 8788 | 489218 | 299873 | 62691143 |
Contraindicated product administered | 3668.80 | 11.71 | 6311 | 491695 | 211337 | 62779679 |
Joint swelling | 3288.15 | 11.71 | 7648 | 490358 | 320018 | 62670998 |
Rheumatoid arthritis | 3228.52 | 11.71 | 6522 | 491484 | 247297 | 62743719 |
Synovitis | 3190.46 | 11.71 | 5452 | 492554 | 181466 | 62809550 |
Treatment failure | 2875.72 | 11.71 | 5399 | 492607 | 193644 | 62797372 |
Systemic lupus erythematosus | 2310.15 | 11.71 | 5073 | 492933 | 203845 | 62787171 |
Therapeutic product effect decreased | 2236.18 | 11.71 | 4779 | 493227 | 188408 | 62802608 |
Arthropathy | 2218.00 | 11.71 | 5358 | 492648 | 229434 | 62761582 |
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 |
---|---|---|---|---|---|---|
Off label use | 3668.79 | 13.03 | 4407 | 68745 | 415117 | 34468662 |
Drug ineffective | 2057.38 | 13.03 | 3510 | 69642 | 453241 | 34430538 |
Rheumatoid arthritis | 1669.98 | 13.03 | 1023 | 72129 | 37215 | 34846564 |
Drug intolerance | 1309.50 | 13.03 | 1046 | 72106 | 58524 | 34825255 |
Joint swelling | 1308.83 | 13.03 | 1048 | 72104 | 58842 | 34824937 |
Synovitis | 1138.74 | 13.03 | 566 | 72586 | 13500 | 34870279 |
Contraindicated product administered | 889.18 | 13.03 | 556 | 72596 | 20925 | 34862854 |
Treatment failure | 784.43 | 13.03 | 703 | 72449 | 45994 | 34837785 |
C-reactive protein abnormal | 556.23 | 13.03 | 299 | 72853 | 8411 | 34875368 |
Therapeutic product effect decreased | 520.74 | 13.03 | 491 | 72661 | 34252 | 34849527 |
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 |
---|---|---|---|---|---|---|
Drug ineffective | 6283.01 | 10.99 | 16120 | 411860 | 1064793 | 78251615 |
Drug intolerance | 5525.74 | 10.99 | 6933 | 421047 | 257186 | 79059222 |
Joint swelling | 4074.15 | 10.99 | 6272 | 421708 | 282374 | 79034034 |
Synovitis | 4045.54 | 10.99 | 4499 | 423481 | 146235 | 79170173 |
Contraindicated product administered | 3545.08 | 10.99 | 4295 | 423685 | 153243 | 79163165 |
Rheumatoid arthritis | 3208.60 | 10.99 | 4720 | 423260 | 203750 | 79112658 |
Treatment failure | 3178.86 | 10.99 | 4233 | 423747 | 166253 | 79150155 |
Off label use | 2629.34 | 10.99 | 10694 | 417286 | 896521 | 78419887 |
Therapeutic product effect decreased | 2487.66 | 10.99 | 3688 | 424292 | 160175 | 79156233 |
Arthropathy | 2438.38 | 10.99 | 3809 | 424171 | 173302 | 79143106 |
None
Source | Code | Description |
---|---|---|
ATC | P01BA02 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS ANTIMALARIALS Aminoquinolines |
CHEBI has role | CHEBI:35842 | anti-rheumatic drugs |
CHEBI has role | CHEBI:38068 | antimalarials |
CHEBI has role | CHEBI:50177 | dermatologic agent |
CHEBI has role | CHEBI:149553 | anticoronaviral drug |
FDA EPC | N0000175482 | Antimalarial |
FDA EPC | N0000175713 | Antirheumatic Agent |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000962 | Antimalarials |
MeSH PA | D000977 | Antiparasitic Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Ovale malaria | indication | 19341001 | DOID:12919 |
Vivax malaria | indication | 27052006 | DOID:12978 |
Quartan malaria | indication | 27618009 | DOID:14324 |
Systemic lupus erythematosus | indication | 55464009 | DOID:9074 |
Falciparum malaria | indication | 62676009 | DOID:14067 |
Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
Discoid lupus erythematosus | indication | 200938002 | |
Plasmodium Malariae Malaria Prevention | indication | ||
Plasmodium Ovale Malaria Prevention | indication | ||
Malaria Prevention | indication |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 9.51 | Basic |
pKa2 | 7.83 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Toll-like receptor 7 | Membrane receptor | ANTAGONIST | IC50 | 5.56 | IUPHAR | CHEMBL | |||
Toll-like receptor 9 | Membrane receptor | ANTAGONIST | IC50 | 7.10 | IUPHAR | CHEMBL | |||
Potassium voltage-gated channel subfamily H member 2 | Ion channel | WOMBAT-PK | |||||||
Alpha-2B adrenergic receptor | GPCR | Ki | 4.14 | CHEMBL | |||||
Muscarinic acetylcholine receptor M1 | GPCR | Ki | 4.81 | CHEMBL | |||||
Muscarinic acetylcholine receptor M2 | GPCR | Ki | 5.98 | DRUG MATRIX | |||||
Muscarinic acetylcholine receptor M3 | GPCR | Ki | 5.32 | CHEMBL | |||||
Muscarinic acetylcholine receptor M4 | GPCR | Ki | 5.26 | CHEMBL | |||||
Muscarinic acetylcholine receptor M5 | GPCR | Ki | 4.70 | CHEMBL | |||||
Alpha-2C adrenergic receptor | GPCR | Ki | 4.80 | CHEMBL |
ID | Source |
---|---|
002949 | NDDF |
004906 | NDDF |
13502005 | SNOMEDCT_US |
15082 | MMSL |
153972 | RXNORM |
1645 | MMSL |
3652 | PUBCHEM_CID |
373540008 | SNOMEDCT_US |
4018253 | VANDF |
4019780 | VUID |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0093-2401 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0093-2401 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-0373 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-0373 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 27 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0591-3041 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0615-8374 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 10 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0615-8401 | TABLET | 200 mg | ORAL | ANDA | 30 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0615-8401 | TABLET | 200 mg | ORAL | ANDA | 30 sections |
Hydroxychloroquine sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0615-8459 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |
Hydroxychloroquine Sulfate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0781-5994 | TABLET, FILM COATED | 200 mg | ORAL | ANDA | 25 sections |