imetit   Click here for help

GtoPdb Ligand ID: 1250

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Imetit (dihydrobromide) is a standard H3 and H4 receptor agonist (affinity H3 > H4).
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 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.85
Molecular weight 170.06
XLogP 0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=N)SCCc1cnc[nH]1
Isomeric SMILES NC(=N)SCCc1cnc[nH]1
InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
InChI Key PEHSVUKQDJULKE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide
Database Links Click here for help
BindingDB Ligand 22911
CAS Registry No. 102203-18-9 (source: Scifinder)
ChEMBL Ligand CHEMBL19439
GtoPdb PubChem SID 135650381
PubChem CID 3692
Search Google for chemical match using the InChIKey PEHSVUKQDJULKE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PEHSVUKQDJULKE
Search UniChem for chemical match using the InChIKey PEHSVUKQDJULKE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PEHSVUKQDJULKE
Wikipedia Imetit