General Information of the Compound
Compound ID
CP0047923
Compound Name
BMY-40900
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Synonyms
69655-05-6
9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-oxopurine
9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one
BMY 40900
BMY-40900
CHEBI:490877
DDI
DIDEOXYINOSINE
DRG-0016
DSSTox_CID_2927
Didanosina
Didanosina [INN-Spanish]
Didanosine
Didanosinum
Didanosinum [INN-Latin]
Inosine, 2',3'-dideoxy-
K3GDH6OH08
NCGC00090691-03
NCGC00159514-02
NSC 612049
UNII-K3GDH6OH08
Videx
Videx EC
ddIno
didanosine
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Structure
Formula
C10H12N4O3
Molecular Weight
236.231
Canonical SMILES
OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc[nH]c2=O
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InChI
InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
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InChIKey
BXZVVICBKDXVGW-NKWVEPMBSA-N
CAS
69655-05-6
Physicochemical Property
logP
-0.2105
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
93.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135398739
SID: 15196316
ChEMBL ID
CHEMBL1460
DrugBank ID
DB00900
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000247 MT-4 Homo sapiens (Human)  2
1
IC50 = 5370 nM
   TI
   LI
   LO
   TS
2
IC50 = 7150 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Didanosine )
Drug Name Didanosine
Company Bristol-Myers Squibb
Indication
Human immunodeficiency virus infection
Approved