General Information of the Compound
Compound ID
CP0101656
Compound Name
5'-phenyl-(2'R)-spiro[4-azabicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine]
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Synonyms
5''-phenyl-(2''R)-spiro[4-azabicyclo[2.2.2]octane-2,2''-furo[2,3-b]pyridine]
BDBM50173944
CHEMBL195345
GTPL3968
PSAB-OFP
SCHEMBL2184386
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Structure
Formula
C19H20N2O
Molecular Weight
292.382
Canonical SMILES
C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccccc1
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InChI
InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1
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InChIKey
GIRLVGYIIVFTLI-IBGZPJMESA-N
Physicochemical Property
logP
3.1479
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 16727408
ChEMBL ID
CHEMBL195345
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
Ki = 3.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2 nM
Clinical Information about the Compound
Drug 1 ( PSAB-OFP )
Drug Name PSAB-OFP
Target(s)
Neuronal acetylcholine receptor alpha-7 (CHRNA7)
Agonist