General Information of the Compound
Compound ID
CP0290665
Compound Name
1-(6-fluoroindol-1-yl)propan-2-amine
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Synonyms
(R,S)-1-(6-fluoro-1H-indol-1-yl)propan-2-amine
1H-Indole-1-ethanamine, 6-fluoro-alpha-methyl-
CHEMBL92656
SCHEMBL8959596
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Structure
Formula
C11H13FN2
Molecular Weight
192.237
Canonical SMILES
CC(N)Cn1ccc2ccc(F)cc12
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InChI
InChI=1S/C11H13FN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-6,8H,7,13H2,1H3
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InChIKey
WZMZEXSQEAPONX-UHFFFAOYSA-N
Physicochemical Property
logP
2.1276
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
30.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 10679289
SID: 15712391
ChEMBL ID
CHEMBL92656
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: 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 = 251 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 251.19 nM
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3.981 nM
Clinical Information about the Compound
Drug 1 ( (R,S)-1-(6-fluoro-1H-indol-1-yl)propan-2-amine )
Drug Name (R,S)-1-(6-fluoro-1H-indol-1-yl)propan-2-amine
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor