General Information of the Compound
Compound ID
CP0506099
Compound Name
(R)-N-(2-(4'-(2-(methylsulfonamido)ethyl)biphenyl-4-yl)propyl)propane-2-sulfonamide
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Synonyms
AMPA agonists (Alzheimer's Disease), Lilly
AMPA receptor agonist (agitation in Alzheimer's Disease), Eli Lilly
LY-450108
LY-451395
Mibampator
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Structure
Formula
C21H30N2O4S2
Molecular Weight
438.615
Canonical SMILES
CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(CCNS(C)(=O)=O)cc1
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InChI
InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1
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InChIKey
ULRDYYKSPCRXAJ-KRWDZBQOSA-N
CAS
375345-95-2
Physicochemical Property
logP
2.8766
Rotatable Bonds
10
Heavy Atom Count
29
Polar Areas
92.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 9889366
SID: 15201659
ChEMBL ID
CHEMBL1277001
DrugBank ID
DB12717
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 = 150 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Mibampator )
Drug Name Mibampator
Company Eli Lilly & Co
Indication
Alzheimer disease
Phase 2