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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N10O10P2S2
Molecular Weight 690.543
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADU-S100 FREE ACID

SMILES

NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@@H]5[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]4[C@H]3O)O[C@H]5N6C=NC7=C6N=CN=C7N

InChI

InChIKey=IZJJFUQKKZFVLH-YBVMPXGUSA-N
InChI=1S/C20H24N10O10P2S2/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)/t7-,8-,11-,12-,13-,14-,19-,20-,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H24N10O10P2S2
Molecular Weight 690.543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q86WV6
Gene ID: 340061.0
Gene Symbol: TMEM173
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:47:42 GMT 2023
Edited
by admin
on Sat Dec 16 10:47:42 GMT 2023
Record UNII
NV32768L81
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADU-S100 FREE ACID
Common Name English
ML RR-S2 CDA
Code English
ADENOSINE, (P(R))-5'-O-((R)-HYDROXYMERCAPTOPHOSPHINYL)-P-THIOADENYLYL-(2'->5')-, CYCLIC NUCLEOTIDE
Systematic Name English
ADU-S-100 FREE ACID
Code English
CYCLIC (ADENOSINE(2,5)PHOSPHOTHIORATE-ADENOSINE(3,5)PHOSPHOTHIORATE)), (RP, RP)
Common Name English
Code System Code Type Description
CAS
1638241-89-0
Created by admin on Sat Dec 16 10:47:42 GMT 2023 , Edited by admin on Sat Dec 16 10:47:42 GMT 2023
PRIMARY
FDA UNII
NV32768L81
Created by admin on Sat Dec 16 10:47:42 GMT 2023 , Edited by admin on Sat Dec 16 10:47:42 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY