General Information of the Compound
Compound ID
CP0908268
Compound Name
1-(4-chlorophenyl)-3-(4-methoxyphenethyl)urea
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Synonyms
AG 26
AG-26
AG26
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Structure
Formula
C16H17ClN2O2
Molecular Weight
304.777
Canonical SMILES
COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
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InChI
InChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
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InChIKey
OVFMMJNKICPJJH-UHFFFAOYSA-N
Physicochemical Property
logP
3.7128
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 727787
ChEMBL ID
CHEMBL1289260
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 213.8 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4168.69 nM
   TI
   LI
   LO
   TS
Protein ID: PT02590, N-formyl peptide receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60 Homo sapiens (Human)  1
1
EC50 = 400 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 990 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AG-26 )
Drug Name AG-26
Target(s)
FMLP-related receptor I (FPR2)
Agonist