ADU-S100

Ligand id: 10192

Name: ADU-S100

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 5
Rotatable bonds 2
Topological polar surface area 362.89
Molecular weight 690.06
XLogP -2.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
dithio-(Rp,Rp)-[cyclic[A(2',5')pA(3',5')p]] | MIW815 | ML RR-S2 CDA [1] | S100
Comments
ADU-S100 (a.k.a. ML RR-S2 CDA) is a synthetic cyclic dinucleotide STING agonist that is being developed as an immuno-oncology lead by Aduro BioTech and Novartis [1].
Database Links
CAS Registry No. 1638241-89-0 (source: PubChem)
GtoPdb PubChem SID 381118902
PubChem CID 118989191
Search Google for chemical match using the InChIKey IZJJFUQKKZFVLH-LTKSHMRXSA-N
Search Google for chemicals with the same backbone IZJJFUQKKZFVLH
Search UniChem for chemical match using the InChIKey IZJJFUQKKZFVLH-LTKSHMRXSA-N
Search UniChem for chemicals with the same backbone IZJJFUQKKZFVLH