compound 1 [PMID: 24930776]

Ligand id: 9092

Name: compound 1 [PMID: 24930776]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 323.97
Molecular weight 676.13
XLogP 3.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[(Z)-2-(2,4-diaminophenyl)diazen-1-yl]-3-[(E)-2-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]-3-sulfophenyl}diazen-1-yl]-4-hydroxynaphthalene-2-sulfonic acid
Synonyms
DB36 [1]
Database Links
PubChem CID 6817797
Search Google for chemical match using the InChIKey ADRMADAIKSWNOR-GOCYIQQKSA-N
Search Google for chemicals with the same backbone ADRMADAIKSWNOR
Search UniChem for chemical match using the InChIKey ADRMADAIKSWNOR-GOCYIQQKSA-N
Search UniChem for chemicals with the same backbone ADRMADAIKSWNOR
Comments
Compound 1 inhibits the co-stimulatory protein-protein interaction between the tumour necrosis factor receptor OX40 and the endogenous OX-40 ligand, by binding to the receptor rather than the ligand [1]. This interaction is a promising therapeutic target for immunomodulation. Cellular assays indicate that compound 1 has partial agonist activity at OX40.

PubChem CID 6817797 respresents an alternative stereochemical structure for this compound.