General Information of the Compound
Compound ID
CP0697742
Compound Name
6-amino-5-chlorouracil hydrochloride
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Synonyms
6-amino-5-chlorouracil hydrochloride
CHEMBL541900
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Structure
Formula
C4H5Cl2N3O2
Molecular Weight
198.009
Canonical SMILES
Cl.Nc1nc(O)nc(O)c1Cl
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InChI
InChI=1S/C4H4ClN3O2.ClH/c5-1-2(6)7-4(10)8-3(1)9;/h(H4,6,7,8,9,10);1H
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InChIKey
LZWPDUHEHWOBPF-UHFFFAOYSA-N
Physicochemical Property
logP
0.5452
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
92.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
11

"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: 45265835
ChEMBL ID
CHEMBL541900
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 = 11600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-amino-5-chlorouracil hydrochloride )
Drug Name 6-amino-5-chlorouracil hydrochloride
Target(s)
Thymidine phosphorylase (TYMP)
Inhibitor