Details of the Drug

General Information of Drug (ID: DM20X8C)

Drug Name
5'-O-[(L-Methionyl)-Sulphamoyl]Adenosine
Synonyms
CHEMBL1163059; 1pfy; AC1L9LA4; SCHEMBL4308351; BDBM50222901; 5'-O-[N-(L-Methionyl)-sulfamoyl]adenosine; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-4-methylsulfanylbutanoyl]sulfamate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 479.5
Logarithm of the Partition Coefficient (xlogp) -4.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C15H25N7O7S2
IUPAC Name
[(2S,3R,4R,5R)-5-[(4S)-6-amino-1,4-dihydropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl N-[(2R)-2-amino-4-methylsulfanylbutanoyl]sulfamate
Canonical SMILES
CSCC[C@H](C(=O)NS(=O)(=O)OC[C@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=N[C@H]32)N)O)O)N
InChI
InChI=1S/C15H25N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,13,15,23-24H,2-4,16-17H2,1H3,(H,18,19)(H,21,25)/t7-,8+,10+,11-,13+,15-/m1/s1
InChIKey
SQDXXTAOGLOMRP-JJWYTCDVSA-N
Cross-matching ID
PubChem CID
46936326
DrugBank ID
DB02229
TTD ID
D0V2YR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Streptococcus Methionyl-tRNA synthetase (Stre-coc metG) TTOJ46K SYM_STRP1 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.