General Information of the Compound
Compound ID
CP0143696
Compound Name
1-(2-chloropyridin-4-yl)-3-pyridin-4-ylurea
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Structure
Formula
C11H9ClN4O
Molecular Weight
248.673
Canonical SMILES
Clc1cc(NC(=O)Nc2ccncc2)ccn1
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InChI
InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
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InChIKey
HFIPFTAKXMECCX-UHFFFAOYSA-N
Physicochemical Property
logP
2.774
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
66.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 145988683
ChEMBL ID
CHEMBL4290675
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: PT03585, Probable global transcription activator SNF2L2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
2
IC50 = 8100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 87 nM
2 Kd = 450 nM
Protein ID: PT03301, Transcription activator BRG1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 770 nM
   TI
   LI
   LO
   TS
2
Kd = 280 nM
   TI
   LI
   LO
   TS