General Information of the Compound
Compound ID
CP0104639
Compound Name
5-BROMO-2'-DEOXY URIDINE
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Synonyms
5-BROMO-2'-DEOXYURIDINE
5-Bdu
5-BrdU
5-Bromo-2-deoxyuridine
5-Bromodeoxyuridine
5-Bromodesoxyuridine
5-Bromouracil deoxyriboside
5-Bromouracil-2-deoxyriboside
5-Budr
5-bromo-2'-deoxy uridine
59-14-3
BRDU
BROMODEOXYURIDINE
BUDR
Bromodeoxyuridine
Bromoouridine
Bromouracil deoxyriboside
Broxuridina
Broxuridina [INN-Spanish]
Broxuridine
Broxuridinum
Broxuridinum [INN-Latin]
Brudr
C9H11BrN2O5
CCRIS 818
CHEBI:472552
EINECS 200-415-9
HSDB 7477
NSC-38297
Radibud
UNII-G34N38R2N1
Uridine, 5-bromo-2'-deoxy-
bromodeoxyuridine (brdu)
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Structure
Formula
C9H11BrN2O5
Molecular Weight
307.1
Canonical SMILES
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
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InChI
InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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InChIKey
WOVKYSAHUYNSMH-RRKCRQDMSA-N
CAS
3445-26-9
723-73-9
Physicochemical Property
logP
-1.0602
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: 6035
SID: 14849833
ChEMBL ID
CHEMBL222280
DrugBank ID
DB12028
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 36.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 580.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 13091.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BROMODEOXYURIDINE )
Drug Name BROMODEOXYURIDINE
Target(s)
Mycobacterium Thymidine monophosphate kinase (MycB tmk)
 Target Info 
Inhibitor