General Information of the Compound
Compound ID
CP0431209
Compound Name
1-(2-aminoethyl)-1H-indazol-6-ol
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Synonyms
1-(2-aminoethyl)-1H-indazol-6-ol
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Structure
Formula
C9H11N3O
Molecular Weight
177.207
Canonical SMILES
NCCn1ncc2ccc(O)cc12
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InChI
InChI=1S/C9H11N3O/c10-3-4-12-9-5-8(13)2-1-7(9)6-11-12/h1-2,5-6,13H,3-4,10H2
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InChIKey
RVQKKYXTHSVLLB-UHFFFAOYSA-N
Physicochemical Property
logP
0.7006
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
64.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 135520431
ChEMBL ID
CHEMBL199385
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 = 20 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 15 nM
   TI
   LI
   LO
   TS
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 4.5 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 = 9.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(2-aminoethyl)-1H-indazol-6-ol )
Drug Name 1-(2-aminoethyl)-1H-indazol-6-ol
Target(s)
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2B receptor (HTR2B)
Inhibitor