General Information of the Compound
Compound ID
CP0072767
Compound Name
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2-chloro-ethyl)-amide
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Synonyms
(5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
1595AH
AC1NSJTE
ACEA
ACM273734079
AKOS024456526
Arachidonoyl-2-chloroethylamide
Arachidonyl-2'-chloroethylamide
Arachidonyl-2'-chloroethylamide hydrate
Arachidonyl-2-chloroethylamide
BDBM50072769
BN0049
C22H36ClNO
CHEMBL151167
GTPL738
HMS3649N11
L000112
LS-63778
MFCD02683581
MolPort-003-940-362
N-(2-Chloroethyl)-5Z,8Z,11Z,14Z-eicosatetraenamide
NCGC00162406-01
SCHEMBL1517676
SR-01000946682
SR-01000946682-1
ZINC13675373
arachidonyl-2-chloroethylamide
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Structure
Formula
C22H36ClNO
Molecular Weight
365.989
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
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InChI
InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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InChIKey
SCJNCDSAIRBRIA-DOFZRALJSA-N
Physicochemical Property
logP
6.4871
Rotatable Bonds
16
Heavy Atom Count
25
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 5311006
SID: 14877104
ChEMBL ID
CHEMBL151167
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 5.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 95 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ACEA )
Drug Name ACEA
Target(s)
Cannabinoid receptor 1 (CB1)
 Target Info 
Agonist