General Information of the Compound
Compound ID
CP0080436
Compound Name
4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benzenesulfonamide
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Synonyms
4-Amino-N-(2,6-diamino-pyridin-4-yl)-benzenesulfonamide
4-Amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide
4-amino-N-(2,6 bis-methylamino-pyridin-4-yl)-benzene sulfonamide
4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide
AC1NSM3I
BDBM50090524
CHEMBL46071
GTPL275
GTPL3246
L000518
N-(2,6-bis(methylamino)pyridin-4-yl)-4-aminobenzenesulfonamide
Ro 63-0563
Ro-63-0563
Ro-630563
Ro630563
SCHEMBL679027
[3H]Ro 63-0563
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Structure
Formula
C13H17N5O2S
Molecular Weight
307.379
Canonical SMILES
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
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InChI
InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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InChIKey
PTFNKZLSFWJYFJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.548
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
109.14
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 5312144
SID: 14825549
ChEMBL ID
CHEMBL46071
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 12.59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
Ki = 12.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 14.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 512 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 12 nM
2 Ki = 15.85 nM
Clinical Information about the Compound
Drug 1 ( [3H]Ro 63-0563 )
Drug Name [3H]Ro 63-0563
Target(s)
5-HT 6 receptor (HTR6)
 Target Info 
Antagonist