General Information of the Compound
Compound ID
CP0049058
Compound Name
dT
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Synonyms
1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
2'-Deoxythymidine
2'-thymidine
5-Methyl-2'-deoxyuridine
5-Methyldeoxyuridine
5-Methyldeoxyurindine
50-89-5
AI3-52267
Beta-Thymidine
CCRIS 1283
CHEBI:17748
DThyd
Deoxyribothymidine
Deoxythymidine
Thymidin
Thymidine
Thymine deoxyriboside
Thymine-2-deoxyriboside
Thymine-2-desoxyriboside
Thyminedeoxyriboside
UNII-VC2W18DGKR
Uridine, 2'-deoxy-5-methyl-
beta-D-Ribofuranoside, thymine-1 2-deoxy-
dT
dThd
deoxythymidine
thymidine
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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+/m0/s1
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InChIKey
IQFYYKKMVGJFEH-XLPZGREQSA-N
CAS
35902-13-7
50-88-4
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: 5789
SID: 15196472
ChEMBL ID
CHEMBL52609
DrugBank ID
DB04485
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: PT01530, Thymidine kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000057 Vero Chlorocebus sabaeus (Green monkey)  1
1
Km = 810 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM
Clinical Information about the Compound
Drug 1 ( Deoxythymidine )
Drug Name Deoxythymidine
Target(s)
Thymidine kinase 1 (TK1)
Inhibitor
Mycobacterium Thymidine monophosphate kinase (MycB tmk)
Inhibitor