General Information of the Compound
Compound ID
CP0298207
Compound Name
cyclopropanolamide, 11a
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Synonyms
(1S,2S)-N-Arachidonoylcyclopropanolamide
CHEMBL485369
cyclopropanolamide, 11a
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Structure
Formula
C23H37NO2
Molecular Weight
359.554
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H]1C[C@@H]1O
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InChI
InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22-/m0/s1
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InChIKey
LZHCSJBKBARIFQ-NILUWUTCSA-N
Physicochemical Property
logP
5.3815
Rotatable Bonds
15
Heavy Atom Count
26
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 42617990
SID: 81076934
ChEMBL ID
CHEMBL485369
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 = 28 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 = 290 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 190.55 nM
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 = 47 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (1S,2S)-N-Arachidonoylcyclopropanolamide )
Drug Name (1S,2S)-N-Arachidonoylcyclopropanolamide
Target(s)
Cannabinoid receptor 2 (CB2)
Inhibitor
Cannabinoid receptor 1 (CB1)
Inhibitor