General Information of the Compound
Compound ID
CP0056585
Compound Name
2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-indole
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Synonyms
(2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone
(2-Methyl-1-propylindol-3-yl)(naphthalen-1-yl)methanone
(2-methyl-1-propyl-1H-indol-3-yl)(naphthalen-1-yl)methanone
(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
155471-08-2
AC1N784D
AOB5643
BDBM21282
CHEBI:92318
CHEMBL306764
DTXSID60165902
GTPL5558
JHW 015
JWH 015
JWH-015
JWH015
MFCD02094630
MLS002153392
MolPort-003-983-602
NCGC00025117-01
PubChem19328
SCHEMBL497044
SR-01000597570
Tocris-1341
UNII-W4FL204T10
W4FL204T10
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Structure
Formula
C23H21NO
Molecular Weight
327.427
Canonical SMILES
CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
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InChI
InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3
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InChIKey
LJSBBBWQTLXQEN-UHFFFAOYSA-N
Physicochemical Property
logP
5.74392
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 4273754
SID: 14875077
ChEMBL ID
CHEMBL306764
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 634 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.056905 nM
2 Ki = 13.3 nM
3 Ki = 13.8 nM
4 Ki = 14 nM
5 Ki = 36 nM
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 ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 2640 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( JWH-015 )
Drug Name JWH-015
Indication
Organ transplant rejection
Patented
Target(s)
Cannabinoid receptor 2 (CB2)
Agonist