General Information of the Compound
Compound ID
CP0423769
Compound Name
Cyclic Cidofovir
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Synonyms
CHPMPC
Cidofovir prodrug, Gilead
Cyclic HPMPC
Cyclic cidofovir
GS-504 analog
GS-930
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Structure
Formula
C8H12N3O5P
Molecular Weight
261.174
Canonical SMILES
Nc1ccn(C[C@H]2COP(O)(=O)CO2)c(=O)n1
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InChI
InChI=1S/C8H12N3O5P/c9-7-1-2-11(8(12)10-7)3-6-4-16-17(13,14)5-15-6/h1-2,6H,3-5H2,(H,13,14)(H2,9,10,12)/t6-/m0/s1
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InChIKey
YXQUGSXUDFTPLL-LURJTMIESA-N
CAS
127757-45-3
Physicochemical Property
logP
-0.6162
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
116.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 122873
SID: 14872357
ChEMBL ID
CHEMBL392630
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
Km = 309000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CHPMPC )
Drug Name CHPMPC
Company Gilead Sciences Inc
Indication
Virus infection
Discontinued in Phase 1
Target(s)
Herpes simplex virus DNA polymerase UL30 (HSV UL30)
Modulator