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
CAS Number
142635-42-5
TTD ID
D0F5AJ

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.