General Information of the Compound
Compound ID
CP0012158
Compound Name
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
    Show/Hide
Synonyms
BDBM50377050
CHEMBL403858
GTPL3997
PH-709829
PHA-709829
PTGWFYYEAUFEAS-ZYHUDNBSSA-N
SCHEMBL844377
    Show/Hide
Structure
Formula
C15H17N3O2
Molecular Weight
271.32
Canonical SMILES
O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1
    Show/Hide
InChI
InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1
    Show/Hide
InChIKey
PTGWFYYEAUFEAS-ZYHUDNBSSA-N
Physicochemical Property
logP
1.6518
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
58.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10107234
SID: 15095642
ChEMBL ID
CHEMBL403858
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
CL000022 SH-EP1 Homo sapiens (Human)  1
1
EC50 = 46 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki = 9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PH-709829 )
Drug Name PH-709829
Target(s)
5-HT 3A receptor (HTR3A)
Inhibitor
Neuronal acetylcholine receptor alpha-7 (CHRNA7)
Inhibitor