General Information of the Compound
Compound ID
CP0309013
Compound Name
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
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Synonyms
528859-61-2
AC1OCFY6
AKOS032954248
BDBM34143
CHEMBL175835
E 6837
E-6837
KB-76740
SCHEMBL1423485
ZINC13611722
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Structure
Formula
C22H22ClN3O2S
Molecular Weight
427.957
Canonical SMILES
CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
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InChI
InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3
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InChIKey
OOIQBABUMXSCPC-UHFFFAOYSA-N
Physicochemical Property
logP
4.8794
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 6918836
SID: 12015927
ChEMBL ID
CHEMBL175835
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
EC50 = 0.2951 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 0.2 nM
   TI
   LI
   LO
   TS
2
Ki = 0.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.7 nM
Clinical Information about the Compound
Drug 1 ( E-6837 )
Drug Name E-6837
Target(s)
5-HT 6 receptor (HTR6)
Inhibitor