General Information of the Compound
Compound ID
CP0449478
Compound Name
N-[2-(4-thiophen-3-ylphenyl)propyl]propane-2-sulfonamide
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Synonyms
AMPA modulators, Eli Lilly
LY-392098
LY-404187
LY-4516146
LY-451616
LY-451646
LY-503430
PF-4775874
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Structure
Formula
C16H21NO2S2
Molecular Weight
323.483
Canonical SMILES
CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccsc1
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InChI
InChI=1S/C16H21NO2S2/c1-12(2)21(18,19)17-10-13(3)14-4-6-15(7-5-14)16-8-9-20-11-16/h4-9,11-13,17H,10H2,1-3H3
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InChIKey
QFAUPDBCVKBKSH-UHFFFAOYSA-N
Physicochemical Property
logP
3.8464
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 9873570
SID: 14850656
ChEMBL ID
CHEMBL334920
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: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 660 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LY-392098 )
Drug Name LY-392098
Company Eli Lilly & Co
Indication
Cognitive impairment
Investigative