FAMOTIDINE

Search structure
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A02BA03
UNII: 5QZO15J2Z8

Structure
InChI Key XUFQPHANEAPEMJ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H2 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 2.969-7.302
Enzyme Lyase
- - - 126.3 -
Enzyme Transferase
- - - - 11.54
Enzyme
- - - 126.3 2.969-7.302
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -45.31--4.29
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 300 18.2-100 41 87
Transcription factor
- 67600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86.68
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 10700 - 1800000 6-56
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 36200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastrointestinal Hemorrhage 3 D006471 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Movement Disorders 2 D009069 ClinicalTrials
Eosinophilic Esophagitis 2 D057765 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Breast Carcinoma In Situ 2 D000071960 ClinicalTrials
Immunoglobulin G4-Related Disease 2 D000077733 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Thyroid Neoplasms 1 D013964 ClinicalTrials
Leukemia, Hairy Cell 1 D007943 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Glycogen Storage Disease Type III 1 D006010 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Fibrosis 1 D005355 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Lupus Erythematosus, Systemic 1 D008180 ClinicalTrials
Mesothelioma 1 D008654 ClinicalTrials

Cross References

Resources Reference
ChEBI 4975
ChEMBL CHEMBL902
DrugBank DB00927
DrugCentral 1129
EPA CompTox DTXSID5023039
FDA SRS 5QZO15J2Z8
Human Metabolome Database HMDB01919
Guide to Pharmacology 7074
PharmGKB PA449586
PubChem 5353622
SureChEMBL SCHEMBL972
ZINC ZINC000001530636
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