General Information of the Compound
Compound ID
CP0022455
Compound Name
2-Me 5-HT
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Synonyms
2-Me-5-HT
2-methyl-5-HT
2-methyl-5-hydroxytryptamine
2-methylserotonin
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Structure
Formula
C11H14N2O
Molecular Weight
190.246
Canonical SMILES
Cc1[nH]c2ccc(O)cc2c1CCN
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InChI
InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
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InChIKey
WYWNEDARFVJQSG-UHFFFAOYSA-N
CAS
78263-90-8
Physicochemical Property
logP
1.68312
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: 1574
SID: 15195322
ChEMBL ID
CHEMBL266591
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 46 nM
2 Ki = 400 nM
Clinical Information about the Compound
Drug 1 ( 2-methyl-5-HT )
Drug Name 2-methyl-5-HT
Target(s)
5-HT 3A receptor (HTR3A)
Agonist
5-HT 1B receptor (HTR1B)
Agonist
5-HT 1F receptor (HTR1F)
Agonist
5-HT 1E receptor (HTR1E)
Agonist
5-HT 2B receptor (HTR2B)
Agonist
5-HT 1D receptor (HTR1D)
Agonist
5-HT 6 receptor (HTR6)
Agonist