Details of the Drug

General Information of Drug (ID: DM8HBUI)

• Drug Name: ADU-S100
• Synonyms: MIW815; IZJJFUQKKZFVLH-LTKSHMRXSA-N; 1638241-89-0; AKOS027321070; HY-12885

Indication

Disease Entry	ICD 11	Status	REF
Head and neck cancer	2D42	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 734.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 20
• Chemical Identifiers:
  Formula: C20H22N10Na2O10P2S2
  IUPAC Name: disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3-oxido-12-oxo-3-sulfanylidene-12-sulfido-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
  Canonical SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)OP(=S)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)[S-])[O-])O.[Na+].[Na+]
  InChI: InChI=1S/C20H24N10O10P2S2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,41?,42?;;/m1../s1
  InChIKey: GDWOOOCBNOMMTL-QYUKNOIISA-L
• Cross-matching ID:
  PubChem CID: 135390762
  CAS Number: 1638750-95-4
  DrugBank ID: DB14722
  TTD ID: D0N6VS
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stimulator of interferon genes protein (TMEM173)	TTT402Y	STING_HUMAN	Activator	[2]

References

• [1] ClinicalTrials.gov (NCT03937141) Efficacy and Safety Trial of ADU-S100 and Pembrolizumab in Head and Neck Cancer. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)