General Information of the Compound
Compound ID
CP0247101
Compound Name
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
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Synonyms
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
BDBM50275378
CHEMBL487763
HYXMIUGYZHSSJS-UHFFFAOYSA-N
SCHEMBL2074218
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Structure
Formula
C18H20N2
Molecular Weight
264.372
Canonical SMILES
CNCCC(c1c[nH]c2ccccc12)c1ccccc1
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InChI
InChI=1S/C18H20N2/c1-19-12-11-15(14-7-3-2-4-8-14)17-13-20-18-10-6-5-9-16(17)18/h2-10,13,15,19-20H,11-12H2,1H3
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InChIKey
HYXMIUGYZHSSJS-UHFFFAOYSA-N
Physicochemical Property
logP
3.9093
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
27.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 44589528
ChEMBL ID
CHEMBL487763
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine )
Drug Name 3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
Inhibitor