General Information of the Compound
Compound ID
CP0459712
Compound Name
(2-hydroxyethylamino) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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Synonyms
CHEMBL203380
O-arachidonoyl-N-(2-hydroxyethyl)hydroxylamine
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Structure
Formula
C22H37NO3
Molecular Weight
363.542
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)ONCCO
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InChI
InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)26-23-20-21-24/h6-7,9-10,12-13,15-16,23-24H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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InChIKey
XNXCXJJVMFVWDO-DOFZRALJSA-N
Physicochemical Property
logP
5.1722
Rotatable Bonds
17
Heavy Atom Count
26
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 11508826
SID: 16610762
ChEMBL ID
CHEMBL203380
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
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 3500 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 2400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( O-arachidonoyl-N-(2-hydroxyethyl)hydroxylamine )
Drug Name O-arachidonoyl-N-(2-hydroxyethyl)hydroxylamine
Target(s)
Cannabinoid receptor 1 (CB1)
Inhibitor
Cannabinoid receptor 2 (CB2)
Inhibitor