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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL112
CHEMBL112
Compound Name ACETAMINOPHEN
ChEMBL Synonyms PARAVICT | ACETAMINOPHEN | JUNIOR PARAPAED | GALPAMOL | DISPROL | PANALEVE | PANADOL OA | MEDISED PLAIN | INJECTAPAP | CALPOL SIX PLUS FASTMELTS | Phenaphen | PARAPAED JNR | PARAMIN | PARACETAMOL | PANADOL ADVAN | PANADOL ACTIFAST SOLB | HEDEX | DISPROL JNR | CALPOL SIX PLUS | APAP | PANALEVE 6 PLUS | PANADOL ACTIFAST | MIRADOL | DISPROL PAED | CUPANOL | PERFALGAN | PALDESIC | MEDINOL | MANDANOL | INFADROPS | FENNINGS | CHILD LEMSIP | ANGIERS | TYLENOL | RIMADOL | OFIRMEV | MEDINOL UNDER 6 | MEDINOL FOR CHILDREN | ALVEDON | TIXYMOL | PLACIDEX | PANADOL JNR | PANADOL | INFANTS' FEVERALL | Datril | DAFALGAN | CALPOL | ACEPHEN | ABDINE | TRAMIL 500 | SALZONE | NEOPAP | MEDINOL OVER 6 | DISPROL INFANT | PARAPAED SIX PLUS
Max Phase 4 (Approved)
Trade Names CUPANOL | DISPROL PAED | MIRADOL | PANADOL ACTIFAST | PANALEVE 6 PLUS | Paracetamol | ANGIERS | CHILD LEMSIP | FENNINGS | INFADROPS | MANDANOL | MEDINOL | PALDESIC | PERFALGAN | ALVEDON | MEDINOL FOR CHILDREN | MEDINOL UNDER 6 | OFIRMEV | RIMADOL | TYLENOL | ABDINE | ACEPHEN | CALPOL | DAFALGAN | Datril | INFANTS' FEVERALL | PANADOL | PANADOL JNR | PLACIDEX | TIXYMOL | ACETAMINOPHEN | DISPROL INFANT | MEDINOL OVER 6 | NEOPAP | SALZONE | TRAMIL 500 | DISPROL | GALPAMOL | JUNIOR PARAPAED | PARAPAED SIX PLUS | PARAVICT | CALPOL SIX PLUS FASTMELTS | INJECTAPAP | MEDISED PLAIN | PANADOL OA | PANALEVE | CALPOL SIX PLUS | DISPROL JNR | HEDEX | PANADOL ACTIFAST SOLB | PANADOL ADVAN | PARAMIN | PARAPAED JNR | Phenaphen
Molecular Formula C8H9NO2

Additional synonyms for CHEMBL112 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc(O)cc1
Standard InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H, ...
Download InChI
Standard InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL112

Molecule Features

CHEMBL112 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:Y Topical:Y Black Box:N Availability Type:Over-The-Counter

Mechanism of Action

Mechanism of Action ChEMBL Target References
Anandamide amidohydrolase inhibitor Anandamide amidohydrolase PubMed
Cyclooxygenase inhibitor Cyclooxygenase PubMed PubMed PubMed PubMed PubMed
Vanilloid receptor opener Vanilloid receptor PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis2ClinicalTrials
Ductus Arteriosus, PatentD0043743ClinicalTrials
FeverD005334HP:0001945fever4ATC
ATC
ATC
ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder4ClinicalTrials
DailyMed
DailyMed
DailyMed
MyopiaD009216HP:0000545Myopia3ClinicalTrials
ObesityD009765EFO:0001073obesity3ClinicalTrials
SinusitisD012852EFO:0007486sinusitis2ClinicalTrials
TonsillitisD0140692ClinicalTrials
Borderline Personality DisorderD001883HP:0012076Borderline personality disorder2ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma2ClinicalTrials
Postoperative Nausea and VomitingD020250EFO:0004888post operative nausea and vomiting3ClinicalTrials
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus2ClinicalTrials
GlaucomaD005901EFO:0000516glaucoma0ClinicalTrials
Glycogen Storage Disease Type IID006009Orphanet:365Glycogen storage disease due to acid maltase deficiency1ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus3ClinicalTrials
MucositisD052016EFO:1001898mucositis2ClinicalTrials
Obesity, MorbidD009767EFO:0001074morbid obesity1ClinicalTrials
Osteoarthritis, HipD015207EFO:1000786osteoarthritis, hip3ClinicalTrials
Paget Disease, ExtramammaryD010145EFO:1000249Extramammary Paget Disease3ClinicalTrials
PharyngitisD0106124DailyMed
Tooth DiseasesD014076EFO:1001216tooth disease0ClinicalTrials
Digestive System DiseasesD004066EFO:0000405digestive system disease2ClinicalTrials
DysmenorrheaD0044124ClinicalTrials
DailyMed
DailyMed
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease2ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage3ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
MelanomaD008545EFO:0000389cutaneous melanoma2ClinicalTrials
Meningitis, BacterialD016920EFO:1000831bacterial meningitis3ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma3ClinicalTrials
PainD010146EFO:0003843pain4ATC
ATC
ATC
ClinicalTrials
DailyMed
DailyMed
DailyMed
DailyMed
PulpitisD011671EFO:1001139pulpitis2ClinicalTrials
Renal ColicD056844EFO:1001412Renal Colic2ClinicalTrials
Streptococcal InfectionsD013290EFO:1001476streptococcal infection3ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Cleft PalateD002972HP:0000175cleft palate2ClinicalTrials
Common ColdD003139EFO:0007214common cold4ClinicalTrials
DailyMed
DailyMed
DailyMed
HeadacheD006261HP:0002315Headache3ClinicalTrials
Influenza, HumanD007251EFO:0001669influenza infection4ClinicalTrials
DailyMed
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells2ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis3ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
Respiratory Tract InfectionsD0121411ClinicalTrials
ToothacheD0140984DailyMed
DailyMed
DailyMed
Arrhythmias, CardiacD001145EFO:0004269cardiac arrhythmia1ClinicalTrials
ArthritisD001168EFO:0005856arthritis4DailyMed
DailyMed
HIV InfectionsD015658EFO:0000764HIV infection3ClinicalTrials
HypertensionD006973EFO:0000537hypertension2ClinicalTrials
Lupus NephritisD008181EFO:0005761lupus nephritis3ClinicalTrials
MalariaD008288EFO:0001068malaria3ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis3ClinicalTrials
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee3ClinicalTrials
PemphigusD010392EFO:0004719pemphigus vulgaris3ClinicalTrials
SepsisD018805HP:0100806sepsis2ClinicalTrials
Skin NeoplasmsD012878EFO:0004198skin neoplasm3ClinicalTrials
Brain DiseasesD001927EFO:0005774brain disease2ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus1ClinicalTrials
Leukemia, Mast-CellD007946EFO:0007359mast-cell leukemia2ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL PositiveD015464EFO:0000339chronic myelogenous leukemia1ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials
Abdominal PainD015746HP:0002027abdominal pain3ClinicalTrials
Diabetic NeuropathiesD003929EFO:1000783diabetic neuropathy3ClinicalTrials
Fractures, BoneD050723EFO:0003931bone fracture2ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease1ClinicalTrials

Clinical Data

ClinicalTrials.gov ACETAMINOPHEN
The Cochrane Collaboration ACETAMINOPHEN

Metabolites for CHEMBL112

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL112. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3318 Tyrosinase Agaricus bisporus 0.932
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.816
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.785
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.748
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.728
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.701
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.604
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.540
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.537
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.523
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.522
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.504
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.442
CHEMBL2392 DNA polymerase beta Homo sapiens 0.348
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.348
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.292
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.267
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.224
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.215
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.213



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3318 Tyrosinase Agaricus bisporus 0.978
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.928
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.859
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.732
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.724
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.701
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.653
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.648
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.606
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.526
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.513
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.389
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.376
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.315
CHEMBL2392 DNA polymerase beta Homo sapiens 0.314
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.302
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.295
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.203
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
151.2 151.0633 1.35 1 49.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.86 1.72 .47 .47 1 11 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL112. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BE - Anilides
N02BE71 - paracetamol, combinations with psycholeptics

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BE - Anilides
N02BE01 - paracetamol

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BE - Anilides
N02BE51 - paracetamol, combinations excl. psycholeptics

ChemSpider ChemSpider:RZVAJINKPMORJF-UHFFFAOYSA-N
DailyMed acetaminophen
PubChem SID: 104171293 SID: 11112253 SID: 11114188 SID: 124882135 SID: 144209128 SID: 144210420 SID: 170466797 SID: 17390068 SID: 174007306 SID: 26747171 SID: 56422763
Wikipedia Paracetamol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL112



ACToR 103-90-2
Atlas acetaminophen paracetamol
BindingDB 26197
Brenda 69698 84044 111336 111608 2541 19996 7459 111868 114965 143804
ChEBI 46195
ChemicalBook CB1413658
DrugBank DB00316
DrugCentral 52
eMolecules 474380 27677450
EPA CompTox Dashboard DTXSID2020006
FDA SRS 362O9ITL9D
Guide to Pharmacology 5239
Human Metabolome Database HMDB0001859
IBM Patent System 83F8888F1F88128AA0B368FAC06BBA5A
KEGG Ligand C06804
LINCS LSM-5533
Mcule MCULE-3844920617
Metabolights MTBLC46195
MolPort MolPort-000-150-777
Nikkaji J4.025H
NMRShiftDB 89614
PDBe TYL
PharmGKB PA448015
PubChem 1983
PubChem: Drugs of the Future 24714721
PubChem: Thomson Pharma 15321628
SureChEMBL SCHEMBL3480 SCHEMBL19474893
ZINC ZINC000013550868

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RZVAJINKPMORJF-UHFFFAOYSA-N spacer
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