compound 28 [PMID: 16460935]

Ligand id: 8619

Name: compound 28 [PMID: 16460935]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 163.75
Molecular weight 555.95
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[7-bromo-1-[(2,5-difluorophenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide
Database Links
ChEMBL Ligand CHEMBL205904
PubChem CID 11948634
Search Google for chemical match using the InChIKey HEZXZGJJNMPIJM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HEZXZGJJNMPIJM
Search UniChem for chemical match using the InChIKey HEZXZGJJNMPIJM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HEZXZGJJNMPIJM
Comments
Compound 28 is reported to inhibit complement component 1, s subcomponent (C1S), with excellent selectivity over uPA (urokinase plasminogen activator) and good selectivity over tPA (tissue plasminogen activator), FXa, thrombin, and plasmin [1].