General Information of the Compound
Compound ID
CP0386221
Compound Name
(2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine
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Synonyms
(2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
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Structure
Formula
C11H15N3O
Molecular Weight
205.261
Canonical SMILES
COc1ccc2cnn(C[C@H](C)N)c2c1
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InChI
InChI=1S/C11H15N3O/c1-8(12)7-14-11-5-10(15-2)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1
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InChIKey
WSEWULCWBQDNEH-QMMMGPOBSA-N
Physicochemical Property
logP
1.3921
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
53.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 11708275
SID: 16813001
ChEMBL ID
CHEMBL199775
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)  2
1
Ki = 16 nM
   TI
   LI
   LO
   TS
2
Ki = 37 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 = 7.5 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 = 6.7 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)  2
1
Ki = 1.5 nM
   TI
   LI
   LO
   TS
2
Ki = 16 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine )
Drug Name (2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine
Target(s)
5-HT 2B receptor (HTR2B)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor