RANITIDINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A02BA02
UNII 884KT10YB7
EPA CompTox DTXSID8045191

Structure

InChI Key VMXUWOKSQNHOCA-UHFFFAOYSA-N
Smiles CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
InChI
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H22N4O3S
Molecular Weight 314.41
AlogP 1.46
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 83.58
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Histamine H2 receptor antagonist ANTAGONIST DailyMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 40-650 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - 63-169.82 53.7-501.19 44
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 28.8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 29
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 0
Transporter Primary active transporter P-type ATPase Hydrogen potassium ATPase
- 40 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 41
Cavia porcellus
- 650 64.57-169.82 53.7-501.19 44-44
Homo sapiens
- - 63 - 28.8-29
Oryctolagus cuniculus
- 40 - - -
Rattus norvegicus
- - - - -16.8-72

Target Conservation

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

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
USA

Cross References

Resources Reference
ChEBI 92246
ChEMBL CHEMBL1790041
DrugBank DB00863
DrugCentral 2358
FDA SRS 884KT10YB7
Guide to Pharmacology 1234
KEGG D00422
PubChem 5039
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