General Information of the Compound
Compound ID
CP0731283
Compound Name
5-bromo-6-(cyclopropylamino)uracil hydrochloride
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Synonyms
5-bromo-6-(cyclopropylamino)uracil hydrochloride
CHEMBL537864
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Structure
Formula
C7H9BrClN3O2
Molecular Weight
282.525
Canonical SMILES
Cl.Oc1nc(O)c(Br)c(NC2CC2)n1
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InChI
InChI=1S/C7H8BrN3O2.ClH/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12;/h3H,1-2H2,(H3,9,10,11,12,13);1H
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InChIKey
CUQFSKAHEOAMRH-UHFFFAOYSA-N
Physicochemical Property
logP
1.6464
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
78.27
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
14

"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: 45263353
ChEMBL ID
CHEMBL537864
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: PT01816, Thymidine phosphorylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-bromo-6-(cyclopropylamino)uracil hydrochloride )
Drug Name 5-bromo-6-(cyclopropylamino)uracil hydrochloride
Target(s)
Thymidine phosphorylase (TYMP)
Inhibitor