General Information of the Compound
Compound ID
CP0007707
Compound Name
4-(5-Methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]-nonane
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Synonyms
1,4-Diazabicyclo(3.2.2)nonane, 4-(5-methyloxazolo(4,5-b)pyridin-2-yl)-
4-(5-Methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]-nonane
4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diaza-bicyclo[3.2.2]nonane
4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane
439608-12-5
BDBM50309861
BSNKYWSMUAGMDO-UHFFFAOYSA-N
CHEMBL604798
CP-810123
E6G4550EC4
SCHEMBL1459339
UNII-E6G4550EC4
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Structure
Formula
C14H18N4O
Molecular Weight
258.325
Canonical SMILES
Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2
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InChI
InChI=1S/C14H18N4O/c1-10-2-3-12-13(15-10)16-14(19-12)18-9-8-17-6-4-11(18)5-7-17/h2-3,11H,4-9H2,1H3
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InChIKey
BSNKYWSMUAGMDO-UHFFFAOYSA-N
Physicochemical Property
logP
1.81562
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
45.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 11184481
SID: 16265259
ChEMBL ID
CHEMBL604798
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: PT03697, 5-hydroxytryptamine receptor 3A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 269 nM
   TI
   LI
   LO
   TS
Protein ID: PT02118, 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 = 13.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 16.4 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CP-810123 )
Drug Name CP-810123
Target(s)
Neuronal acetylcholine receptor alpha-7 (CHRNA7)
Inhibitor
5-HT 3A receptor (HTR3A)
Inhibitor