phloroglucinol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
2153 108-73-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • phloroglucinol
  • phloroglucin
  • phloroglucine
  • 1,3,5-Benzenetriol
A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.
  • Molecular weight: 126.11
  • Formula: C6H6O3
  • CLOGP: 0.14
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 3
  • TPSA: 60.69
  • ALOGS: -0.55
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BMX,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT1,FLT3,GRK2,GSK3B,IRAK1,IRAK3,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAP4K5,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 83
kinase-selectivity-class ACVR2B,GRK2,MAPK7,PIK3CD 4
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Hepatocellular injury 123.61 32.79 45 3381 28913 90596108
Drug reaction with eosinophilia and systemic symptoms 106.58 32.79 45 3381 42713 90582308
Poisoning deliberate 86.97 32.79 30 3396 16456 90608565
Hyponatraemia 86.62 32.79 57 3369 133481 90491540
Acute generalised exanthematous pustulosis 84.35 32.79 28 3398 13675 90611346
Acute kidney injury 76.29 32.79 76 3350 320311 90304710
Cholestasis 60.96 32.79 29 3397 36270 90588751
Coma 59.55 32.79 36 3390 72596 90552425
Pancreatitis acute 54.97 32.79 26 3400 32089 90592932
Cell death 53.31 32.79 14 3412 3041 90621980
Toxic skin eruption 50.91 32.79 20 3406 15754 90609267
Schizencephaly 49.91 32.79 9 3417 334 90624687
Cerebral haemorrhage foetal 49.78 32.79 9 3417 339 90624682
Febrile bone marrow aplasia 48.56 32.79 17 3409 9721 90615300
Hyperacusis 44.85 32.79 12 3414 2799 90622222
Faecaloma 43.68 32.79 16 3410 10415 90614606
Rash maculo-papular 43.42 32.79 24 3402 40909 90584112
Agranulocytosis 38.43 32.79 21 3405 34981 90590040
Drug ineffective 38.39 32.79 4 3422 1384294 89240727
Thrombocytopenia 37.98 32.79 43 3383 208682 90416339
Hepatosplenic candidiasis 37.29 32.79 7 3419 325 90624696
Cardio-respiratory arrest 36.18 32.79 25 3401 63115 90561906
Porphyria 33.84 32.79 6 3420 202 90624819
Abdominal pain 33.13 32.79 56 3370 395665 90229356

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Urethral valves 63.84 32.92 11 1990 250 42619084
Pancreatitis acute 63.15 32.92 31 1970 33533 42585801
Hyperleukocytosis 62.15 32.92 16 1985 2592 42616742
Hepatic cytolysis 57.17 32.92 27 1974 26817 42592517
Acute kidney injury 48.90 32.92 72 1929 367265 42252069
Neutropenia 45.25 32.92 51 1950 199380 42419954
Febrile bone marrow aplasia 44.26 32.92 17 1984 10164 42609170
Eosinophilia 40.78 32.92 23 1978 32876 42586458
Diarrhoea infectious 36.10 32.92 8 1993 684 42618650
General physical health deterioration 34.79 32.92 39 1962 151207 42468127
Tuberculosis 33.92 32.92 14 1987 10085 42609249
Puncture site haematoma 33.38 32.92 6 1995 175 42619159

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Hepatocellular injury 134.58 28.39 60 5297 50582 110533360
Drug reaction with eosinophilia and systemic symptoms 118.13 28.39 64 5293 82031 110501911
Acute kidney injury 116.49 28.39 148 5209 635282 109948660
Pancreatitis acute 106.71 28.39 54 5303 60220 110523722
Cholestasis 86.43 28.39 48 5309 64470 110519472
Febrile bone marrow aplasia 85.19 28.39 32 5325 17433 110566509
Hepatic cytolysis 79.37 28.39 43 5314 55010 110528932
Acute generalised exanthematous pustulosis 75.09 28.39 31 5326 21633 110562309
Toxic skin eruption 74.33 28.39 33 5324 27482 110556460
Poisoning deliberate 72.48 28.39 32 5325 26299 110557643
Hyponatraemia 64.05 28.39 65 5292 217588 110366354
Hyperleukocytosis 61.83 28.39 17 5340 3422 110580520
Neutropenia 57.19 28.39 80 5277 374540 110209402
Thrombocytopenia 53.98 28.39 75 5282 348810 110235132
Coma 51.70 28.39 44 5313 117825 110466117
Cell death 49.00 28.39 16 5341 5775 110578167
Eosinophilia 48.77 28.39 32 5325 57904 110526038
Drug ineffective 46.13 28.39 9 5348 1520531 109063411
Abdominal pain 45.97 28.39 86 5271 512903 110071039
Hyperacusis 45.79 28.39 13 5344 2939 110581003
Faecaloma 40.64 28.39 18 5339 14890 110569052
Rash maculo-papular 39.45 28.39 31 5326 74191 110509751
Hypokalaemia 38.85 28.39 46 5311 182402 110401540
Fatigue 37.25 28.39 7 5350 1215951 109367991
Wrong product administered 35.67 28.39 15 5342 10945 110572997
Enteritis 33.39 28.39 17 5340 19139 110564803
General physical health deterioration 32.82 28.39 67 5290 425228 110158714
Intestinal obstruction 32.16 28.39 24 5333 53203 110530739
Porphyria 31.39 28.39 6 5351 238 110583704
Agranulocytosis 31.11 28.39 25 5332 61735 110522207
Anaemia 30.80 28.39 76 5281 547010 110036932
Puncture site haematoma 30.70 28.39 6 5351 268 110583674
Hepatosplenic candidiasis 30.70 28.39 7 5350 659 110583283
Lymphatic fistula 29.72 28.39 8 5349 1487 110582455
Femoral hernia incarcerated 29.64 28.39 8 5349 1501 110582441
Pancytopenia 29.32 28.39 43 5314 209570 110374372
Gamma-glutamyltransferase increased 29.16 28.39 24 5333 61285 110522657
Prerenal failure 28.58 28.39 10 5347 4449 110579493
Anaphylactic shock 28.40 28.39 22 5335 51524 110532418

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A03AX12 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Other drugs for functional gastrointestinal disorders
MeSH PA D007202 Indicators and Reagents
CHEBI has role CHEBI:84735 algal metabolite

Related Drugs by ATC class:

A03AX Other drugs for functional gastrointestinal disorders 13 drugs
alverinecaroverinechlorbenzoxaminediisoprominefenoverinefenpipraneidanpramineisometheptenepinaveriumproxazoletrepibutonetrimethyldiphenylpropylamine show all 13 →

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.35 acidic
pKa2 10.35 acidic
pKa3 12.36 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Beta-secretase 1 Enzyme IC50 4.44 CHEMBL

External reference:

IDSource
N0000166595 NUI
D00152 KEGG_DRUG
C0031566 UMLSCUI
CHEBI:16204 CHEBI
13X PDB_CHEM_ID
CHEMBL473159 ChEMBL_ID
359 PUBCHEM_CID
DB12944 DRUGBANK_ID
D010696 MESH_DESCRIPTOR_UI
DHD7FFG6YS UNII
8196 RXNORM
005931 NDDF
19341000122103 SNOMEDCT_US
DHD7FFG6YS INXIGHT DRUGS

Pharmaceutical products:

None