impromidine   Click here for help

GtoPdb Ligand ID: 1226

Synonyms: SK&F-92676-A3
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Arpromidine is a histamine H1 receptor antagonist.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 133.07
Molecular weight 321.17
XLogP 0.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C
Isomeric SMILES NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C
InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
InChI Key MURRAGMMNAYLNA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[3-(3H-imidazol-4-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
International Nonproprietary Names Click here for help
INN number INN
4686 impromidine
Synonyms Click here for help
SK&F-92676-A3
Database Links Click here for help
BindingDB Ligand 22884
ChEBI CHEBI:110582
ChEMBL Ligand CHEMBL12608
GtoPdb PubChem SID 135650388
PubChem CID 41376
Search Google for chemical match using the InChIKey MURRAGMMNAYLNA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MURRAGMMNAYLNA
Search PubMed clinical trials impromidine
Search PubMed titles impromidine
Search PubMed titles/abstracts impromidine
Search UniChem for chemical match using the InChIKey MURRAGMMNAYLNA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MURRAGMMNAYLNA
Wikipedia Impromidine