General Information of the Compound
Compound ID
CP0491861
Compound Name
N-(2-methylbutyl)-5H-pyrido[4,3-b]indol-1-amine
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Structure
Formula
C16H19N3
Molecular Weight
253.349
Canonical SMILES
CCC(C)CNc1nccc2[nH]c3ccccc3c12
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InChI
InChI=1S/C16H19N3/c1-3-11(2)10-18-16-15-12-6-4-5-7-13(12)19-14(15)8-9-17-16/h4-9,11,19H,3,10H2,1-2H3,(H,17,18)
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InChIKey
YZWMTFORQSIEAP-UHFFFAOYSA-N
Physicochemical Property
logP
4.1741
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 44580475
ChEMBL ID
CHEMBL523566
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 = 10 nM
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   LI
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   TS
Protein ID: PT00501, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1258.93 nM
   TI
   LI
   LO
   TS