General Information of the Compound
Compound ID
CP0051933
Compound Name
(3-Chloro-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl)-dipropyl-amine
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Structure
Formula
C13H22ClN3
Molecular Weight
255.793
Canonical SMILES
CCCN(CCC)C1CCn2ncc(Cl)c2C1
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InChI
InChI=1S/C13H22ClN3/c1-3-6-16(7-4-2)11-5-8-17-13(9-11)12(14)10-15-17/h10-11H,3-9H2,1-2H3
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InChIKey
SHBKBFYVWDZZMP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9733
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
21.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 11658914
SID: 16762515
ChEMBL ID
CHEMBL194099
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  4
1
Ki = 120 nM
   TI
   LI
   LO
   TS
2
Ki = 210 nM
   TI
   LI
   LO
   TS
3
Ki = 12000 nM
   TI
   LI
   LO
   TS
4
Ki > 20000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 6.1 nM
   TI
   LI
   LO
   TS
2
Ki = 230 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4.5 nM
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 200 nM
   TI
   LI
   LO
   TS
2
Ki = 6400 nM
   TI
   LI
   LO
   TS