Details of the Drug

General Information of Drug (ID: DMZ9024)

Drug Name
NORARISTEROMYCIN
Synonyms
noraristeromycin; 5'-Noraristeromycin; CHEMBL129014; (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol; 4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentanetriol; AC1L2QRX; (-)-5'-Noraristeromycin; 142635-42-5; (+/-)-5'-Noraristeromycin; SCHEMBL1231088; BDBM50135288; (+-)-(1alpha,2beta,3beta,4alpha)-4-(6-Amino-9H-purin-9-yl)-1,2,3-cyclopentanetriol; NRN; (1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-1,2,3-triol; (1S,2R,3S,4R)-4-(6-amino-9H-purin-9-yl)cyclopentane-1,2,3-triol
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): 0 Molecular Weight (mw) 251.24
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C10H13N5O3
IUPAC Name
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Canonical SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1O)O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
InChIKey
VFKHECGAEJNAMV-HETMPLHPSA-N
Cross-matching ID
PubChem CID
126704
ChEBI ID
CHEMBL129014
CAS Number
142635-42-5
TTD ID
D0F5AJ
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
Adenosylhomocysteinase (AHCY) TTE2KUJ SAHH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis of 4'-modified noraristeromycins to clarify the effect of the 4'-hydroxyl groups for inhibitory activity against S-adenosyl-L-homocystein... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2615-8.