General Information of the Compound
Compound ID
CP0455322
Compound Name
2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-c]pyridine
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Synonyms
2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-c]pyridine
BDBM50299011
CHEMBL574615
SCHEMBL12041449
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Structure
Formula
C16H22N4S
Molecular Weight
302.447
Canonical SMILES
C1CCN(CC1)C1CCN(CC1)c1nc2cnccc2s1
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InChI
InChI=1S/C16H22N4S/c1-2-8-19(9-3-1)13-5-10-20(11-6-13)16-18-14-12-17-7-4-15(14)21-16/h4,7,12-13H,1-3,5-6,8-11H2
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InChIKey
CYASDRJNADLAFT-UHFFFAOYSA-N
Physicochemical Property
logP
3.146
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
32.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 45482781
SID: 96107287
ChEMBL ID
CHEMBL574615
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 128 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-c]pyridine )
Drug Name 2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-c]pyridine
Target(s)
Histamine H3 receptor (H3R)
Inhibitor