General Information of the Compound
Compound ID
CP0098948
Compound Name
Impulsin
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Synonyms
544-31-0
Anandamide (16:0)
Guanfacine extended release
HEXADECANAMIDE, N-(2-HYDROXYETHYL)-
Hydroxyethylpalmitamide
Impulsin
Loramine P 256
Monoethanolamine palmitic acid amide
N-(2-Hydroxyethyl)hexadecanamide
N-(2-Hydroxyethyl)palmitamide
N-palmitoylethanolamine
NSC 23320
Palmidrol
Palmidrol [INN]
Palmidrolum
Palmidrolum [INN-Latin]
Palmitamide MEA
Palmitic acid monoethanolamide
Palmitinsaeure-beta-hydroxyethylamid
Palmitoyl ethanolamide
Palmitoyl-EA
Palmitoylethanolamide
UNII-6R8T1UDM3V
hexadecanoyl ethanolamide
palmitylethanolamide
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Structure
Formula
C18H37NO2
Molecular Weight
299.499
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NCCO
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InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
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InChIKey
HXYVTAGFYLMHSO-UHFFFAOYSA-N
CAS
544-31-0
71060-58-7
Physicochemical Property
logP
4.5762
Rotatable Bonds
16
Heavy Atom Count
21
Polar Areas
49.33
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: 4671
SID: 14825223
ChEMBL ID
CHEMBL417675
DrugBank ID
DB14043
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 5000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 5000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 517.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 11582.1 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 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06137, Transient receptor potential cation channel subfamily V member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Guanfacine extended release )
Drug Name Guanfacine extended release
Company Shire
Indication
Attention deficit hyperactivity disorder
Approved
Target(s)
G-protein coupled receptor 55 (GPR55)
Agonist
Cannabinoid receptor 2 (CB2)
Agonist
Glucose-dependent insulinotropic receptor (GPR119)
Agonist