General Information of the Compound
Compound ID
CP0426437
Compound Name
2-(5-methoxy-1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
    Show/Hide
Structure
Formula
C23H24N2O3
Molecular Weight
376.456
Canonical SMILES
COc1cccc(c1)-c1ccc(CNCCc2c[nH]c3ccc(OC)cc23)o1
    Show/Hide
InChI
InChI=1S/C23H24N2O3/c1-26-18-5-3-4-16(12-18)23-9-7-20(28-23)15-24-11-10-17-14-25-22-8-6-19(27-2)13-21(17)22/h3-9,12-14,24-25H,10-11,15H2,1-2H3
    Show/Hide
InChIKey
PSIVUIKUCMHEPP-UHFFFAOYSA-N
Physicochemical Property
logP
4.7774
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
59.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155530779
ChEMBL ID
CHEMBL4464881
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 91 nM
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 216 nM
   TI
   LI
   LO
   TS
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 76 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 871 nM
   TI
   LI
   LO
   TS