General Information of the Compound
Compound ID
CP0044659
Compound Name
(6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone
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Synonyms
(6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone
1-(2-(Morpholin-4-yl)ethyl)-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole
1-[2-(morpholin-4-yl)ethyl]-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole
164178-33-0
6-iodopravadoline
AC1N7ICI
AM 630
AM-630
AM630
CHEMBL181633
GTPL750
Iodopravadoline (AM630)
Iodopravadoline(AM-630)
MLS006010265
Tocris-1120
U1LNJ6NBKA
UNII-U1LNJ6NBKA
[6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone
iodopravadoline
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Structure
Formula
C23H25IN2O3
Molecular Weight
504.368
Canonical SMILES
COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
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InChI
InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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InChIKey
JHOTYHDSLIUKCJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.12612
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 4302963
SID: 14835756
ChEMBL ID
CHEMBL181633
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)  2
1
Ki = 840 nM
   TI
   LI
   LO
   TS
2
Ki = 5152 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5152 nM
2 Ki = 5252 nM
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 76.6 nM
   TI
   LI
   LO
   TS
2
EC50 = 167 nM
   TI
   LI
   LO
   TS
3
Ki = 91 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 602.56 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3150 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 31.2 nM
   TI
   LI
   LO
   TS
2
Ki = 36 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 31.2 nM
Clinical Information about the Compound
Drug 1 ( AM-630 )
Drug Name AM-630
Target(s)
Cannabinoid receptor 2 (CB2)
Inhibitor
Cannabinoid receptor 1 (CB1)
Inhibitor