General Information of the Compound
Compound ID
CP0182022
Compound Name
2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine
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Synonyms
1H-Indole-3-ethanamine,7-(phenylmethoxy)-
2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine
2-[7-(benzyloxy)-1h-indol-3-yl]ethanamine
3-(2-AMINOETHYL)-7-BENZYLOXYINDOLE
31677-75-5
6038AH
7-(Benzyloxy)-1H-indole-3-ethanamine
7-Benzyloxytriptamine
7-Benzyloxytryptamine
7-Benzyloxytryptamine, free base
AC1L63X1
AC1Q57HL
ACM31677755
AKOS024282335
B-2160
BDBM50247069
CHEMBL460302
CTK4G7564
DTXSID60293835
JOYGWYISRWPUIM-UHFFFAOYSA-N
MCULE-8072963757
NSC-92541
NSC92541
SCHEMBL5167328
ST055630
ZINC39096
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Structure
Formula
C17H18N2O
Molecular Weight
266.344
Canonical SMILES
NCCc1c[nH]c2c(OCc3ccccc3)cccc12
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InChI
InChI=1S/C17H18N2O/c18-10-9-14-11-19-17-15(14)7-4-8-16(17)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12,18H2
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InChIKey
JOYGWYISRWPUIM-UHFFFAOYSA-N
CAS
31677-75-5
Physicochemical Property
logP
3.2481
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
51.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 260806
ChEMBL ID
CHEMBL460302
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  2
1
IC50 = 3340 nM
   TI
   LI
   LO
   TS
2
IC50 = 8930 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine )
Drug Name 2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine
Target(s)
Leukotriene A-4 hydrolase (LTA4H)
Inhibitor
Long transient receptor potential channel 8 (TRPM8)
Inhibitor