General Information of the Compound
Compound ID
CP0500615
Compound Name
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
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Synonyms
(2S)-1-(6-fluoro-1H-indazol-1-yl)propan-2-amine
CHEMBL256623
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Structure
Formula
C10H12FN3
Molecular Weight
193.225
Canonical SMILES
C[C@H](N)Cn1ncc2ccc(F)cc12
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InChI
InChI=1S/C10H12FN3/c1-7(12)6-14-10-4-9(11)3-2-8(10)5-13-14/h2-5,7H,6,12H2,1H3/t7-/m0/s1
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InChIKey
OARAVURQNSHWSP-ZETCQYMHSA-N
Physicochemical Property
logP
1.5226
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 9859429
ChEMBL ID
CHEMBL256623
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 82 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 32 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (2S)-1-(6-fluoro-1H-indazol-1-yl)propan-2-amine )
Drug Name (2S)-1-(6-fluoro-1H-indazol-1-yl)propan-2-amine
Target(s)
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor