General Information of the Compound
Compound ID
CP0499684
Compound Name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethoxy)icosa-5,8,11,14-tetraenamide
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Synonyms
1875AH
883296-70-6
BDBM50185034
CHEMBL382444
HMS3650G10
MolPort-009-019-187
N-arachidonoyl-O-(2-hydroxyethyl)hydroxylamine
SR-01000946282
SR-01000946282-1
ZINC13685181
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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)NOCCO
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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)23-26-21-20-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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InChIKey
ANMKTCMIIFBOGG-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
3
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: 11710300
SID: 16815138
ChEMBL ID
CHEMBL382444
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 = 470 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 = 81 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 250 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-arachidonoyl-O-(2-hydroxyethyl)hydroxylamine )
Drug Name N-arachidonoyl-O-(2-hydroxyethyl)hydroxylamine
Target(s)
Cannabinoid receptor 1 (CB1)
Inhibitor
Cannabinoid receptor 2 (CB2)
Inhibitor