General Information of the Compound
Compound ID
CP0057346
Compound Name
3-(2-aminopropyl)-1H-indol-5-ol
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Synonyms
alpha-Me-5-HT
alpha-methyl-5-HT
alpha-methylserotonin
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Structure
Formula
C11H14N2O
Molecular Weight
190.246
Canonical SMILES
CC(N)Cc1c[nH]c2ccc(O)cc12
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InChI
InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
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InChIKey
LYPCGXKCQDYTFV-UHFFFAOYSA-N
Physicochemical Property
logP
1.7632
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
62.04
Hydrogen Bond Donor Count
3
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: 2107
SID: 14797321
ChEMBL ID
CHEMBL275854
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 378 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19.6 nM
2 Ki = 12 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 12 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 = 13 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 13 nM
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 = 1.8 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 = 7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.6 nM
2 Ki = 60 nM
Clinical Information about the Compound
Drug 1 ( alpha-methyl-5-HT )
Drug Name alpha-methyl-5-HT
Target(s)
5-HT 2C receptor (HTR2C)
Agonist
5-HT 2A receptor (HTR2A)
Agonist
5-HT 1E receptor (HTR1E)
Agonist
5-HT 2B receptor (HTR2B)
Agonist
5-HT 1F receptor (HTR1F)
Agonist
5-HT 1D receptor (HTR1D)
Agonist
5-HT 4 receptor (HTR4)
Agonist
5-HT 6 receptor (HTR6)
Agonist