FAMOTIDINE

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Synonyms
Status
Molecule Category Free-form
ATC A02BA03
UNII 5QZO15J2Z8
EPA CompTox DTXSID5023039

Structure

InChI Key XUFQPHANEAPEMJ-UHFFFAOYSA-N
Smiles NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1
InChI
InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N7O2S3
Molecular Weight 337.46
AlogP -0.77
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 175.83
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Histamine H2 receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 3-938.8 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 300 18.2-100 - 87
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86.68-97.53
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 13.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 760 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 96
Cavia porcellus
- 300 18.2-100 - 87
Cricetulus griseus
- - - - 86.68-97.53
Helicobacter pylori
- - - 20.7-49.8 -
Homo sapiens
- 760 - 3-938.8 13.9
Rattus norvegicus
- - - - 7.9-96

Target Conservation

Protein: Histamine H2 receptor
Description: Histamine H2 receptor
Organism : Homo sapiens
P25021 ENSG00000113749

Environmental Exposure

Environmental Exposure Map
Countries
Hungary
Romania
Serbia
USA

Cross References

Resources Reference
ChEBI 4975
ChEMBL CHEMBL902
DrugBank DB00927
DrugCentral 1129
FDA SRS 5QZO15J2Z8
Human Metabolome Database HMDB0001919
Guide to Pharmacology 7074
PharmGKB PA449586
SureChEMBL SCHEMBL972
ZINC ZINC000001530636
CONTENTS