General Information of the Compound
Compound ID
CP0102879
Compound Name
CDV
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Synonyms
(2S)-3-Hydroxy-2-phosphonylmethoxypropyl-cytosine
(S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine
(S)-1-[3-hydroxy-2-(phosphonylmethoxy)-propyl]cytosine
(S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid
(S)-HPMPC
(s)-[[2-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine
1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]-cytosine dihydrate
CDV
Cidofovir
Cidofovir (Vistide)
Cidofovir (anhydrous)
Cidofovir anhydrous
Cidofovirum
Forvade
GS 0504
GS 504
GS-0504
GS-504
GS504
HPMPC
Vistide
Vistide (TN)
Vistide, Cidofovir
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
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Structure
Formula
C8H14N3O6P
Molecular Weight
279.189
Canonical SMILES
Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1
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InChI
InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
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InChIKey
VWFCHDSQECPREK-LURJTMIESA-N
CAS
113852-37-2
Physicochemical Property
logP
-1.6618
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
147.9
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
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: 60613
SID: 12014233
ChEMBL ID
CHEMBL152
DrugBank ID
DB00369
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: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 60000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cidofovir )
Drug Name Cidofovir
Company Pfizer Pharmaceuticals
Indication
Cytomegalovirus infection
Approved
Target(s)
Herpes simplex virus DNA polymerase UL30 (HSV UL30)
Modulator