RANITIDINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1983)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A02BA02
UNII: 884KT10YB7

Structure
InChI Key VMXUWOKSQNHOCA-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H2 receptor antagonist DailyMed FDA
Primary Target
H2 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 650-2300 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 3400 65-170 54-501 44
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 29
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 8300 - - 29
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 0
Transporter Primary active transporter P-type ATPase Hydrogen potassium ATPase
- 40 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peptic Ulcer 4 D010437 ClinicalTrials
Gastroesophageal Reflux 4 D005764 ClinicalTrials
Multiple Myeloma 3 D009101 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Stomach Ulcer 3 D013276 ClinicalTrials
Barrett Esophagus 3 D001471 ClinicalTrials
Cough 3 D003371 ClinicalTrials
Helicobacter Infections 2 D016481 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma 2 D054218 ClinicalTrials
Postpartum Hemorrhage 2 D006473 ClinicalTrials
Job Syndrome 2 D007589 ClinicalTrials
Breast Carcinoma In Situ 2 D000071960 ClinicalTrials
Leukemia, T-Cell 2 D015458 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Immune System Diseases 1 D007154 ClinicalTrials
Carcinoma, Medullary 1 D018276 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Esophagitis, Peptic 1 D004942 ClinicalTrials

Related Entries

Salt
Salt

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
100.0

Cross References

Resources Reference
CAS NUMBER 66357-35-5
ChEBI 92246
ChEMBL CHEMBL1790041
DrugBank DB00863
DrugCentral 2358
EPA CompTox DTXSID8045191
FDA SRS 884KT10YB7
Guide to Pharmacology 1234
KEGG D00422
PubChem 5039
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