cimetidine

Ligand id: 1231

Name: cimetidine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 114.19
Molecular weight 252.12
XLogP 1.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1977))
IUPAC Name
3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
International Nonproprietary Names
INN number INN
3765 cimetidine
Synonyms
cimetidine HCl | Tagamet®
Database Links
BindingDB Ligand 50018991
CAS Registry No. 51481-61-9
ChEBI CHEBI:3699
ChEMBL Ligand CHEMBL30
DrugBank Ligand DB00501
PubChem CID 2756
Search Google for chemical match using the InChIKey AQIXAKUUQRKLND-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AQIXAKUUQRKLND
Search PubMed clinical trials cimetidine
Search PubMed titles cimetidine
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Search UniChem for chemical match using the InChIKey AQIXAKUUQRKLND-UHFFFAOYSA-N
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Wikipedia Cimetidine
Comments
Cimetidine is a histamine H2 receptor antagonist.