ACETAMINOPHEN

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 362O9ITL9D
EPA CompTox DTXSID2020006

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9NO2
Molecular Weight 151.16
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Anandamide amidohydrolase inhibitor INHIBITOR Wikipedia PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2E Cytochrome P450 2E1
- - - - 50
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 50
Enzyme Hydrolase
- - - - 4-96
Enzyme
- - - - 4-96
Epigenetic regulator Reader Bromodomain
- - - - 6-19
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 96.68-99.98
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Capra hircus
- - - - 96
Cricetulus griseus
- - - - 96.68-99.98
Gallus gallus
- - - - 77.9
Homo sapiens
- - - - -9.2-50
Mus musculus
- - - - 29.38-88
Rattus norvegicus
- - - - 4-22
Staphylococcus aureus
- - - - 10.8-56.3
Trichomonas vaginalis
- - - - 17
Trichomonas vaginalis G3
- - - - 14

Target Conservation

Protein: Anandamide amidohydrolase
Description: Fatty-acid amide hydrolase 1
Organism : Homo sapiens
O00519 ENSG00000117480
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756
Protein: Vanilloid receptor
Description: Transient receptor potential cation channel subfamily V member 1
Organism : Homo sapiens
Q8NER1 ENSG00000196689

Related Entries

Cross References

Resources Reference
ChEBI 46195
ChEMBL CHEMBL112
DrugBank DB00316
DrugCentral 52
FDA SRS 362O9ITL9D
Human Metabolome Database HMDB0001859
Guide to Pharmacology 5239
KEGG C06804
PDB TYL
PharmGKB PA448015
PubChem 1983
SureChEMBL SCHEMBL3480
ZINC ZINC000013550868
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