imetit

Ligand id: 1250

Name: imetit

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.85
Molecular weight 170.06
XLogP 0.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide
Database Links
BindingDB Ligand 22911
CAS Registry No. 102203-18-9 (source: Scifinder)
ChEMBL Ligand CHEMBL19439
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
Comments
Imetit (dihydrobromide) is a standard H3 and H4 receptor agonist (affinity H3 > H4).