General Information of the Compound
Compound ID
CP0467899
Compound Name
5-amino-3-(N-methylpiperidin-4-yl)-1H-indole
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Synonyms
182564-38-1
3-(1-Methyl-4-piperidinyl)-5-amino-1H-indole
3-(1-methyl-4-piperidyl)indole-5-ylamine
3-(1-methylpiperidin-4-yl)-1h-indol-5-amine
5-amino-3-(1-methylpiperidin-4-yl)-1H-indole
5-amino-3-(N-methylpiperidin-4-yl)-1H-indole
AKOS024098950
BDBM50271135
CHEMBL521235
CKBJZDHVHHKARV-UHFFFAOYSA-N
CTK6I2276
SCHEMBL427406
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Structure
Formula
C14H19N3
Molecular Weight
229.327
Canonical SMILES
CN1CCC(CC1)c1c[nH]c2ccc(N)cc12
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InChI
InChI=1S/C14H19N3/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7,15H2,1H3
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InChIKey
CKBJZDHVHHKARV-UHFFFAOYSA-N
Physicochemical Property
logP
2.5593
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
45.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 11831220
SID: 16948844
ChEMBL ID
CHEMBL521235
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: PT01202, 5-hydroxytryptamine receptor 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 353 nM
   TI
   LI
   LO
   TS
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 39.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-amino-3-(N-methylpiperidin-4-yl)-1H-indole )
Drug Name 5-amino-3-(N-methylpiperidin-4-yl)-1H-indole
Target(s)
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 1B receptor (HTR1B)
Inhibitor