General Information of the Compound
Compound ID
CP0052067
Compound Name
2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyrazolo[1,5-a]pyridine
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Synonyms
2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyrazolo[1,5-a]pyridine
2-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine
337972-47-1
API0002679
BDBM50102712
CCG-222448
CHEMBL310843
CTK8E8281
DTXSID40187460
FAUC 213
FAUC 213, &gt
FAUC-213
FAUC213
G8F040299R
GTPL974
HMS3263F09
J-019326
LP01144
MFCD06798338
NCGC00165795-01
NCGC00165795-02
NCGC00261829-01
Pyrazolo(1,5-a)pyridine, 2-((4-(4-chlorophenyl)-1-piperazinyl)methyl)-
RT-012699
Tox21_501144
UNII-G8F040299R
ZINC52541476
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Structure
Formula
C18H19ClN4
Molecular Weight
326.831
Canonical SMILES
Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
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InChI
InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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InChIKey
DTRXURJDKOYCCD-UHFFFAOYSA-N
Physicochemical Property
logP
3.3099
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
23.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 10336538
SID: 15347559
ChEMBL ID
CHEMBL310843
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
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 2300 nM
   TI
   LI
   LO
   TS
2
Ki = 47000 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 3400 nM
   TI
   LI
   LO
   TS
2
Ki = 6300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1310 nM
2 Ki = 3200 nM
3 Ki = 3388.44 nM
4 Ki = 3400 nM
5 Ki = 6300 nM
6 Ki > 6000 nM
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  8
1
Ki = 46 nM
   TI
   LI
   LO
   TS
2
Ki = 76 nM
   TI
   LI
   LO
   TS
3
Ki = 730 nM
   TI
   LI
   LO
   TS
4
Ki = 1600 nM
   TI
   LI
   LO
   TS
5
Ki = 2500 nM
   TI
   LI
   LO
   TS
6
Ki = 8300 nM
   TI
   LI
   LO
   TS
7
Ki = 9200 nM
   TI
   LI
   LO
   TS
8
Ki = 12000 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 5248.07 nM
   TI
   LI
   LO
   TS
2
Ki = 5300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5000 nM
2 Ki = 5300 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 = 2.188 nM
   TI
   LI
   LO
   TS
2
Ki = 2.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 6.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 154 nM
2 Ki = 2.2 nM
3 Ki = 2.7 nM
4 Ki = 3.1 nM
Clinical Information about the Compound
Drug 1 ( FAUC213 )
Drug Name FAUC213
Target(s)
Dopamine D4 receptor (D4R)
Agonist