General Information of the Compound
Compound ID
CP0232834
Compound Name
5-BENZYLOXYTRYPTAMINE
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Synonyms
1H-Indole-3-ethanamine, 5-(phenylmethoxy)-
1H-Indole-3-ethanamine,5-(phenylmethoxy)-
2-(5-(Benzyloxy)-1H-indol-3-yl)ethanamine
2-(5-Benzyloxy-1H-indol-3-yl)-ethylamine
2-[5-(benzyloxy)-1H-indol-3-yl]ethanamine
2-[5-(benzyloxy)-1H-indol-3-yl]ethanamine hydrochloride
2-[5-(phenylmethoxy)indol-3-yl]ethylamine
20776-45-8
3-(2-aminoethyl)-5-benzyloxyindole
5-BT
5-Benzyloxy-3-(2-ethylamino)indole hydrochloride
5-Benzyloxytriptamine
5-Benzyloxytryptamine
B-2100
CHEMBL1288652
EINECS 244-
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
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Structure
Formula
C17H18N2O
Molecular Weight
266.344
Canonical SMILES
NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
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InChI
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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InChIKey
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
CAS
20776-45-8
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: 89576
SID: 15269336
ChEMBL ID
CHEMBL1288652
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 231.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 340 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 660 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Benzyloxytryptamine )
Drug Name 5-Benzyloxytryptamine
Target(s)
Long transient receptor potential channel 8 (TRPM8)
 Target Info 
Inhibitor