General Information of the Compound
Compound ID
CP0071541
Compound Name
CAS_82410-32-0
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Synonyms
2'-NDG
2'-Nor-2'-deoxyguanosine
2-Amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1H-purin-6(9H)-one
2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-3H-purin-6-one
82410-32-0
9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE
9-[(1,3-Dihydroxy-2-propoxy)methyl]guanine
BIOLF-62
BW 759
BW 759U
BW-759U
BW-B 759U
Biolf 62
CCRIS 9212
Cymevene
Cytovene
Cytovene-IV
DRG-0018
GA2
Ganciclovir
Ganciclovirum
Ganciclovirum [Latin]
Gancyclovir
HHEMG
HSDB 6512
Hydroxyacyclovir
RS-21592
UNII-P9G3CKZ4P5
Vitrasert
Zirgan
ganciclovir
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Structure
Formula
C9H13N5O4
Molecular Weight
255.234
Canonical SMILES
Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
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InChI
InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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InChIKey
IRSCQMHQWWYFCW-UHFFFAOYSA-N
CAS
82410-32-0
Physicochemical Property
logP
-1.9709
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
139.28
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Complexity
18

"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: 135398740
SID: 12013652
ChEMBL ID
CHEMBL182
DrugBank ID
DB01004
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 3264.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT06420, POU domain, class 2, transcription factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
Km = 264000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ganciclovir )
Drug Name Ganciclovir
Company Bausch & Lomb Pharmaceuticals, Inc.
Indication
Virus infection
Approved
Target(s)
Herpes simplex virus DNA polymerase UL30 (HSV UL30)
Inhibitor