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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
2	Synthesis of 2-modified aristeromycins and their analogs as potent inhibitors against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase. Bioorg Med Chem. 2008 Apr 1;16(7):3809-15.
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
5	Molecular approaches for the treatment of hemorrhagic fever virus infections. Antiviral Res. 1993 Sep;22(1):45-75.
6	Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active ... Bioorg Med Chem Lett. 2007 Aug 15;17(16):4456-9.
7	Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl u... Bioorg Med Chem. 2008 May 15;16(10):5424-33.
8	Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-a... Bioorg Med Chem Lett. 2004 Nov 15;14(22):5641-4.