General Information of the Compound
Compound ID
CP0121940
Compound Name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one
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Synonyms
DdC
1-(2,3-Dideoxy-beta-D-ribofuranosyl)cytosine
2',3'-DIDEOXYCYTIDINE
2',3'-Dideoxycytidine & Interferon-alpha
2',3'-Dideoxycytidine & Nanoparticles (from human serum albumin or polyhexylcyanoacrylate)
2',3'-Dideoxycytidine & sCD4(soluble recombinant protein)
2,3-dideoxycytidine
3'-Azido-3'-deoxythymidine/2',3'-Dideoxycytidine
4-Amino-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one
6L3XT8CB3I
7481-89-2
BRN 0654956
Beta-D-2',3'-Dideoxycytidine
Beta-D-2',3'-Dideoxycytidine & Granulocyte-macrophage colony-stimulating factor
Beta-D-DDC
C9H13N3O3
CCRIS 692
CHEBI:10101
CHEMBL853
Cytidine, 2',3'-dideoxy & Interferon alpha
Cytidine, 2',3'-dideoxy-
Cytidine, 2',3'-dideoxy-& Colony-stimulating factor
D 5782
DDC (DDC)
DS-4152 & ddC
DdC
DdC & GM-CSF
DdC & IFN-alpha
DdC & Interferon alpha
DdC & NP (from PHCA or HSA)
DdC & sCD4
DdC (Antiviral)
DdCyd
Dideoxycytidine
HIVID
HSDB 7156
Hivid (TN)
Hivid(TM)
Hivid, Dideoxycytidine, NSC 606170, Zalcitabine
Interferon AD + ddC
KS-1130
Lecithinized superoxide dismutase & beta-D-2',3'-Dideoxycytidine
MFCD00012188
NSC 606170
PC-SOD & ddC
Ro 24-2027/000
Ro-24-2027/000
SRI-7707
Sulfated polysaccharide-peptidoglycan DS-4152 & 2',3'-Dideoxycytidine
UNII-6L3XT8CB3I
WREGKURFCTUGRC-POYBYMJQSA-N
Zalcitabine
Zalcitabine (JAN/USP/INN)
Zalcitabine [USAN:INN:BAN]
Zalcitibine
ddC
ddCyd
zalcitabine
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Structure
Formula
C9H13N3O3
Molecular Weight
211.221
Canonical SMILES
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1
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InChI
InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
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InChIKey
WREGKURFCTUGRC-POYBYMJQSA-N
CAS
7481-89-2
Physicochemical Property
logP
-0.5046
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
90.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
15

"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: 24066
SID: 15171927
ChEMBL ID
CHEMBL853
DrugBank ID
DB00943
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: PT02059, C-X-C chemokine receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000247 MT-4 Homo sapiens (Human)  1
1
EC50 = 88 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 103.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000407 CEM-SS Homo sapiens (Human)  1
1
EC50 = 31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 51 nM
Protein ID: PT06206, Solute carrier family 22 member 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Km = 3000000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Zalcitabine )
Drug Name Zalcitabine
Company Hoffmann-La Roche pharmaceutical company
Indication
Human immunodeficiency virus infection
Approved