General Information of the Compound
Compound ID
CP0311253
Compound Name
2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochloride
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Synonyms
1H-Indole-3-ethanamine, 5-fluoro-
2-(5-FLUORO-1H-INDOL-3-YL)ETHAN-1-AMINE
2-(5-Fluoro-1H-indol-3-yl)-ethylamine
2-(5-Fluoro-1H-indol-3-yl)ethylamine
2-(5-fluoro-1H-indol-3-yl)ethanamine
2-(5-fluoroindol-3-yl)ethylamine
3-(2-Aminoethyl)-5-fluoro-1H-indole
5-Fluorotryptamine
5-fluorotryptamine
5-fluorotryptamine, AldrichCPR
576-16-9
AC1L4V8Y
AC1Q4NE7
BDBM30853
CHEMBL275628
CTK5A7173
ChemDiv2_003993
DTXSID20206229
GTPL146
Oprea1_696214
PubChem13384
PubChem1926
SCHEMBL387663
ZINC77278
ZKIORVIXEWIOGB-UHFFFAOYSA-N
cid_197774
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Structure
Formula
C10H11FN2
Molecular Weight
178.21
Canonical SMILES
NCCc1c[nH]c2ccc(F)cc12
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InChI
InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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InChIKey
ZKIORVIXEWIOGB-UHFFFAOYSA-N
Physicochemical Property
logP
1.8082
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
41.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
13

"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: 164682
SID: 15147279
ChEMBL ID
CHEMBL275628
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
 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 = 12300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 13100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(5-fluoro-1H-indol-3-yl)ethanamine )
Drug Name 2-(5-fluoro-1H-indol-3-yl)ethanamine
Target(s)
5-HT 1E receptor (HTR1E)
 Target Info 
Agonist
Long transient receptor potential channel 8 (TRPM8)
 Target Info 
Inhibitor