General Information of the Compound
Compound ID
CP0005169
Compound Name
CHEBI:63624
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Synonyms
1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
1-(2-Deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
2'-Deoxy-L-thymidine
Beta-L-Thymidine
Epavudine
L-Deoxythymidine
L-Thymidine
L-dT
LDT-600
LDT600
LLT
LdT
NB 02B
NV 02B
NV-02B
Sebivo
Telbivudin
Telbivudine
Telbivudine (USAN/INN)
Telbivudine [USAN]
Tyzake/Sebivo (TN)
Tyzeka
Tyzeka (TN)
Tyzeka, Sebivo, Telbivudine
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Structure
Formula
C10H14N2O5
Molecular Weight
242.231
Canonical SMILES
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
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InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
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InChIKey
IQFYYKKMVGJFEH-CSMHCCOUSA-N
CAS
3424-98-4
Physicochemical Property
logP
-1.51428
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
104.55
Hydrogen Bond Donor Count
3
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: 159269
SID: 12015420
ChEMBL ID
CHEMBL374731
DrugBank ID
DB01265
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: PT00295, Capsid protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000617 Hep-G2/2.2.15 Homo sapiens (Human)  1
1
EC50 = 819.4 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000617 Hep-G2/2.2.15 Homo sapiens (Human)  1
1
CC50 > 200000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Telbivudine )
Drug Name Telbivudine
Company Idenix
Indication
Hepatitis B virus infection
Approved