Details of the Drug

General Information of Drug (ID: DM8XO3B)

Drug Name

ARANOSE

Synonyms

Aranoza; CRC-0510375; 3-(alpha-L-Arabinopyranosyl)-1-methyl-1-nitrosourea

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

235.19

Logarithm of the Partition Coefficient (xlogp)

-1.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C7H13N3O6
IUPAC Name: 1-methyl-1-nitroso-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]urea
Canonical SMILES: CN(C(=O)N[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)N=O
InChI: InChI=1S/C7H13N3O6/c1-10(9-15)7(14)8-6-5(13)4(12)3(11)2-16-6/h3-6,11-13H,2H2,1H3,(H,8,14)/t3-,4-,5+,6+/m0/s1
InChIKey: BADMGRJDJPQBLS-UNTFVMJOSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Binder	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004282)
2	Alternative DNA loops regulate the arabinose operon in Escherichia coli. Proc Natl Acad Sci U S A. 1988 Aug;85(15):5444-8.