General Information of the Compound
Compound ID
CP0386193
Compound Name
N-(2-ethoxyethyl)-5H-pyrido[4,3-b]indol-1-amine
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Structure
Formula
C15H17N3O
Molecular Weight
255.321
Canonical SMILES
CCOCCNc1nccc2[nH]c3ccccc3c12
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InChI
InChI=1S/C15H17N3O/c1-2-19-10-9-17-15-14-11-5-3-4-6-12(11)18-13(14)7-8-16-15/h3-8,18H,2,9-10H2,1H3,(H,16,17)
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InChIKey
LZEBBUAGFOQYCU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1645
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
49.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 44580564
ChEMBL ID
CHEMBL495907
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 12.59 nM
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